CID 6444551

O-linoleotoluidide

Structural Information

Molecular Formula
C25H39NO
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC1=CC=CC=C1C
InChI
InChI=1S/C25H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25(27)26-24-21-19-18-20-23(24)2/h7-8,10-11,18-21H,3-6,9,12-17,22H2,1-2H3,(H,26,27)/b8-7-,11-10-
InChIKey
PNQJXZGEXIIZFA-NQLNTKRDSA-N
Compound name
(9Z,12Z)-N-(2-methylphenyl)octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.30316 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.31044 200.7
[M+Na]+ 392.29238 202.1
[M-H]- 368.29588 201.7
[M+NH4]+ 387.33698 212.8
[M+K]+ 408.26632 195.3
[M+H-H2O]+ 352.30042 191.9
[M+HCOO]- 414.30136 220.7
[M+CH3COO]- 428.31701 223.8
[M+Na-2H]- 390.27783 198.6
[M]+ 369.30261 204.5
[M]- 369.30371 204.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe