CID 118842

35567-30-7

Structural Information

Molecular Formula

C₂₁H₄₄N₂O

SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCCN

InChI

InChI=1S/C21H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22/h2-20,22H2,1H3,(H,23,24)

InChIKey

YTJWICLLALFBPN-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)octadecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 426
Patents: 340.34537 Da
Monoisotopic Mass: 7.4
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	196.1
[M+Na]+	363.33459	195.3
[M-H]-	339.33809	192.9
[M+NH4]+	358.37919	208.8
[M+K]+	379.30853	191.2
[M+H-H2O]+	323.34263	187.8
[M+HCOO]-	385.34357	215.7
[M+CH3COO]-	399.35922	222.7
[M+Na-2H]-	361.32004	193.4
[M]+	340.34482	200.3
[M]-	340.34592	200.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe