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

8
Annotation Hits: 860
References: 7017
Patents: 299.28244 Da
Monoisotopic Mass: 6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe