CID 13932022

Linoleic isopropanolamide

Structural Information

Molecular Formula
C21H39NO2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC(C)O
InChI
InChI=1S/C21H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h7-8,10-11,20,23H,3-6,9,12-19H2,1-2H3,(H,22,24)/b8-7-,11-10-
InChIKey
QWQYZEAVCOQEQB-NQLNTKRDSA-N
Compound name
(9Z,12Z)-N-(2-hydroxypropyl)octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

251
Patents

337.29807 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.30535 194.5
[M+Na]+ 360.28729 194.7
[M-H]- 336.29079 190.7
[M+NH4]+ 355.33189 207.2
[M+K]+ 376.26123 189.8
[M+H-H2O]+ 320.29533 187.1
[M+HCOO]- 382.29627 211.9
[M+CH3COO]- 396.31192 215.5
[M+Na-2H]- 358.27274 190.8
[M]+ 337.29752 197.9
[M]- 337.29862 197.9
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