Spectrum CCMSLIB00000478431 for Okaramine R_120153

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
263905-02-8
C32H32N4O4
536.242355504
O=C1NC(C(=O)N2C=CC(C=3NC=4C=CC=CC4C3C=C12)(C)C)CC5(O)C(=O)N(C=6C=CC=CC65)C(C=C)(C)C
InChI=1S/C32H32N4O4/c1-6-31(4,5)36-24-14-10-8-12-21(24)32(40,29(36)39)18-23-28(38)35-16-15-30(2,3)26-20(17-25(35)27(37)34-23)19-11-7-9-13-22(19)33-26/h6-17,23,33,40H,1,18H2,2-5H3,(H,34,37)/b16-15-,25-17-/t23-,32?/m0/s1
BUTLVTAFDGYVNP-UGHAWNMTSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qToF
536.242
1
P1_C9_conc_GA9_01_2415.mzXML
MS2
GNPS-LIBRARY
Luzzatto, Cichewicz, tal_lk
positive
3.732513094287252
0.7410260506518743
1095.47
[2M+Na]+
4.0904890137173595 ppm
-0.004481007999856956 Da