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
3
Annotation Hits

7
References

445
Patents

321.26678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.274056 187.7
[M+Na]+ 344.255998 188.9
[M-H]- 320.259504 184.1
[M+NH4]+ 339.300603 201.1
[M+K]+ 360.229938 183.1
[M+H-H2O]+ 304.264040 180.5
[M+HCOO]- 366.264981 206.7
[M+CH3COO]- 380.280631 210.3
[M+Na-2H]- 342.241446 185.9
[M]+ 321.26623142 190.6
[M]- 321.26732858 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