CID 9862307

Palmitoyl serinol

Structural Information

Molecular Formula

C₁₉H₃₉NO₃

SMILES

CCCCCCCCCCCCCCCC(=O)NC(CO)CO

InChI

InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)20-18(16-21)17-22/h18,21-22H,2-17H2,1H3,(H,20,23)

InChIKey

MZUNFYMZKTWADX-UHFFFAOYSA-N

Compound name

N-(1,3-dihydroxypropan-2-yl)hexadecanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 65
Patents: 329.293 Da
Monoisotopic Mass: 5.6
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]+	330.30028	188.7
[M+Na]+	352.28222	193.1
[M+NH4]+	347.32682	192.3
[M+K]+	368.25616	187.2
[M-H]-	328.28572	185.6
[M+Na-2H]-	350.26767	186.6
[M]+	329.29245	187.8
[M]-	329.29355	187.8

Literature stripe

literature stripe

Patent stripe

patents stripe