Spectrum CCMSLIB00005721053 for Versicamide D

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
1621698-75-6
InChI=1S/C26H27N3O4/c1-24(2)11-13-29-18(22(31)28-12-5-6-17(28)21(29)30)14-26(32)16-7-8-19-15(20(16)27-23(24)26)9-10-25(3,4)33-19/h6-11,13,18,32H,5,12,14H2,1-4H3/b13-11-/t18-,26-/m0/s1
C26H27N3O4
445.20015634400005
O=C1C2=CCCN2C(=O)C3N1C=CC(C4=NC5=C6C=CC(OC6=CC=C5C4(O)C3)(C)C)(C)C
KBFQQKDBYAQJJS-KEKBPSKSSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
445.2
1
f.amoykang/LD-KY-F77-14-E-2-2-2.mzML;
MS2
GNPS-LIBRARY
amoykang, Chen Dawei, Lin Wenhan
positive
2.2469796992613356
0.5686765634563399
446.21
[M+H]+
4.19904529241775 ppm
0.0018736559999297242 Da