CID 5283454

Oleoylethanolamide

Structural Information

Molecular Formula
C20H39NO2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCO
InChI
InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
InChIKey
BOWVQLFMWHZBEF-KTKRTIGZSA-N
Compound name
(Z)-N-(2-hydroxyethyl)octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

399
References

6147
Patents

325.29807 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.30535 190.3
[M+Na]+ 348.28729 190.8
[M-H]- 324.29079 186.6
[M+NH4]+ 343.33189 203.6
[M+K]+ 364.26123 186.2
[M+H-H2O]+ 308.29533 182.9
[M+HCOO]- 370.29627 208.9
[M+CH3COO]- 384.31192 213.2
[M+Na-2H]- 346.27274 188.4
[M]+ 325.29752 194.8
[M]- 325.29862 194.8
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