Spectrum CCMSLIB00000478426 for Okaramine J_120151

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
244071-71-4
C32H36N4O3
524.278741012
O=C1NC(C(=O)N2C3NC=4C(=CC=CC4C3(O)CC12)CC=C(C)C)CC=5C=6C=CC=CC6NC5C(C=C)(C)C
InChI=1S/C32H36N4O3/c1-6-31(4,5)27-21(20-11-7-8-13-23(20)33-27)16-24-29(38)36-25(28(37)34-24)17-32(39)22-12-9-10-19(15-14-18(2)3)26(22)35-30(32)36/h6-14,24-25,30,33,35,39H,1,15-17H2,2-5H3,(H,34,37)/t24-,25-,30+,32-/m0/s1
IILJSEXGGMGEMF-ZCEPNZLZSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qToF
524.279
1
P1_C7_conc_GA7_01_2413.mzXML
MS2
GNPS-LIBRARY
Luzzatto, Cichewicz, tal_lk
positive
3.917521426704015
0.7233103406113991
525.286
[M+H]+
1.3535711974251532 ppm
-7.11012000010669E-4 Da