CID 21579712

(9e,11e)-n-benzyl-13-oxooctadeca-9,11-dienamide

Structural Information

Molecular Formula
C25H37NO2
SMILES
CCCCCC(=O)/C=C/C=C/CCCCCCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C25H37NO2/c1-2-3-12-19-24(27)20-15-9-7-5-4-6-8-10-16-21-25(28)26-22-23-17-13-11-14-18-23/h7,9,11,13-15,17-18,20H,2-6,8,10,12,16,19,21-22H2,1H3,(H,26,28)/b9-7+,20-15+
InChIKey
BJLMUUKAICQBIY-DPNVYNPJSA-N
Compound name
(9E,11E)-N-benzyl-13-oxooctadeca-9,11-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.28244 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.28972 203.5
[M+Na]+ 406.27166 203.9
[M-H]- 382.27516 204.1
[M+NH4]+ 401.31626 214.5
[M+K]+ 422.24560 197.6
[M+H-H2O]+ 366.27970 194.4
[M+HCOO]- 428.28064 222.9
[M+CH3COO]- 442.29629 224.6
[M+Na-2H]- 404.25711 200.9
[M]+ 383.28189 206.9
[M]- 383.28299 206.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.