CID 68741582

883715-18-2

Structural Information

Molecular Formula
C25H37NO
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C25H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-23H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
InChIKey
VCMMYRWIEZCYDK-PDBXOOCHSA-N
Compound name
(9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

33
Patents

367.2875 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.29478 199.8
[M+Na]+ 390.27672 200.6
[M-H]- 366.28022 200.4
[M+NH4]+ 385.32132 211.6
[M+K]+ 406.25066 193.2
[M+H-H2O]+ 350.28476 190.8
[M+HCOO]- 412.28570 220.0
[M+CH3COO]- 426.30135 221.2
[M+Na-2H]- 388.26217 198.4
[M]+ 367.28695 202.4
[M]- 367.28805 202.4
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

patents stripe