Spectrum CCMSLIB00000853952 for NCGC00380951-01_C23H29N3O4_1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-6,12-dimethoxy-3-(1-methylethyl)-

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
n/a
n/a
InChI=1S/C23H29N3O4/c1-8-21(4,5)22-13-17(29-6)20(28)25-18(14(2)3)19(27)24-23(22,25)26(30-7)16-12-10-9-11-15(16)22/h8-14,18H,1H2,2-7H3,(H,24,27)
C23H29N3O4
411.21580640800005
O=C1C(OC)=CC2(C=3C=CC=CC3N(OC)C42N=C(O)C(N14)C(C)C)C(C=C)(C)C
KANZNGGFUBNDNY-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
411.216
1
positive
C2_RC2_01_7950.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.1753935721327626
0.5816180667756305
434.205
[M+Na]+
1.327501986586632 ppm
-5.764080000858485E-4 Da