CID 81787

7336-25-6

Structural Information

Molecular Formula

C₂₁H₄₃NO₃

SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(CO)O

InChI

InChI=1S/C21H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)22-18-20(24)19-23/h20,23-24H,2-19H2,1H3,(H,22,25)

InChIKey

ILMOLWSTFFMGGB-UHFFFAOYSA-N

Compound name

N-(2,3-dihydroxypropyl)octadecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 357.32428 Da
Monoisotopic Mass: 6.6
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]+	358.331556	199.6
[M+Na]+	380.313498	198.6
[M-H]-	356.317004	194.2
[M+NH4]+	375.358103	210.7
[M+K]+	396.287438	194.5
[M+H-H2O]+	340.321540	192.0
[M+HCOO]-	402.322481	215.3
[M+CH3COO]-	416.338131	217.8
[M+Na-2H]-	378.298946	195.5
[M]+	357.32373142	204.1
[M]-	357.32482858	204.1

Literature stripe

literature stripe

Patent stripe

patents stripe