Spectrum CCMSLIB00004752853 for Smenamide C or 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
[C25H40ClN2O4]+
467.2671118600907
O=C1C=C(OC)C(N1C(=O)C(=CC(C)CCC(=CCl)CCC[NH+](C(=O)C)C)C)CC(C)C
InChI=1S/C25H39ClN2O4/c1-17(2)13-22-23(32-7)15-24(30)28(22)25(31)19(4)14-18(3)10-11-21(16-26)9-8-12-27(6)20(5)29/h14-18,22H,8-13H2,1-7H3/p+1/b19-14+,21-16+/t18-,22?/m1/s1
VZXRJCLKLPORSH-FLFAVRAGSA-O

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
467.267
1
f.negarg/160Gatech/Sponge_positive_5uL_P1-D-1_01_422.mzXML;
MS2
GNPS-LIBRARY
negarg, Neha Garg
positive
3.561536219987271
0.7914859696112149
467.267
[M+H]+
2157.400073385723 ppm
-1.0080818600907264 Da