CID 5283449

Alpha-linolenoyl ethanolamide

Structural Information

Molecular Formula
C20H35NO2
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCO
InChI
InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,22H,2,5,8,11-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-
InChIKey
HBJXRRXWHSHZPU-PDBXOOCHSA-N
Compound name
(9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-9,12,15-trienamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

180
Patents

321.26678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.27406 187.7
[M+Na]+ 344.25600 188.9
[M-H]- 320.25950 184.1
[M+NH4]+ 339.30060 201.1
[M+K]+ 360.22994 183.1
[M+H-H2O]+ 304.26404 180.5
[M+HCOO]- 366.26498 206.7
[M+CH3COO]- 380.28063 210.3
[M+Na-2H]- 342.24145 185.9
[M]+ 321.26623 190.6
[M]- 321.26733 190.6
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