Spectrum CCMSLIB00004679992 for Grandilodine C

Rating: (*)★(*)★(*)★(*)★(*)☆

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
InChI=1S/C21H20N2O5/c1-27-18(26)23-15-5-3-2-4-13(15)21-10-11-22-16(24)6-7-19(22)8-9-20(21,23)14(12-19)17(25)28-21/h2-7,14H,8-12H2,1H3/t14-,19-,20-,21?/m1/s1
C21H20N2O5
380.13722174
O=C(OC)N1C=2C=CC=CC2C34OC(=O)C5CC6(C=CC(=O)N6CC3)CCC154
STACHDUHGOCYFP-XCKWHVFBSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Other
qTof
380.137
1
Grandilodine_C.mgf
MS2
MIADB
Alexander Fox Ramos, Mehdi Beniddir, mwang87
positive
4.781950623387716
0.7740359147166849
381.145
[M+H]+
0.5030631386771807 ppm
-1.9173999999111402E-4 Da