CID 38313

Palmitamidopropyl dimethylamine

Structural Information

Molecular Formula

C₂₁H₄₄N₂O

SMILES

CCCCCCCCCCCCCCCC(=O)NCCCN(C)C

InChI

InChI=1S/C21H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3/h4-20H2,1-3H3,(H,22,24)

InChIKey

BDHJUCZXTYXGCZ-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]hexadecanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3578
Patents: 340.34537 Da
Monoisotopic Mass: 7.3
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]+	341.35265	197.6
[M+Na]+	363.33459	197.1
[M-H]-	339.33809	196.5
[M+NH4]+	358.37919	211.3
[M+K]+	379.30853	194.6
[M+H-H2O]+	323.34263	189.2
[M+HCOO]-	385.34357	218.4
[M+CH3COO]-	399.35922	226.7
[M+Na-2H]-	361.32004	195.0
[M]+	340.34482	204.2
[M]-	340.34592	204.2

Literature stripe

literature stripe

Patent stripe

patents stripe