CID 4671

Palmitoylethanolamide

Structural Information

Molecular Formula
C18H37NO2
SMILES
CCCCCCCCCCCCCCCC(=O)NCCO
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
InChIKey
HXYVTAGFYLMHSO-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

865
References

6947
Patents

299.28244 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.28972 182.9
[M+Na]+ 322.27166 183.9
[M-H]- 298.27516 179.5
[M+NH4]+ 317.31626 197.2
[M+K]+ 338.24560 180.4
[M+H-H2O]+ 282.27970 175.8
[M+HCOO]- 344.28064 201.9
[M+CH3COO]- 358.29629 208.7
[M+Na-2H]- 320.25711 182.0
[M]+ 299.28189 187.4
[M]- 299.28299 187.4
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

No patent data available for this compound.