CID 45219

Dibenzylamine, n-(diethylaminoethyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₈N₂

SMILES

CCN(CC)CCN(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C20H28N2/c1-3-21(4-2)15-16-22(17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3

InChIKey

SAGPKEPWUZSHRV-UHFFFAOYSA-N

Compound name

N',N'-dibenzyl-N,N-diethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 296.22525 Da
Monoisotopic Mass: 4.0
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]+	297.232526	175.8
[M+Na]+	319.214468	178.2
[M-H]-	295.217974	183.6
[M+NH4]+	314.259073	191.1
[M+K]+	335.188408	175.5
[M+H-H2O]+	279.222510	166.0
[M+HCOO]-	341.223451	201.1
[M+CH3COO]-	355.239101	216.7
[M+Na-2H]-	317.199916	179.7
[M]+	296.22470142	178.0
[M]-	296.22579858	178.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe