CID 5820

Dibenamine

Structural Information

Molecular Formula

C₁₆H₁₈ClN

SMILES

C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2

InChI

InChI=1S/C16H18ClN/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2

InChIKey

GSLWSSUWNCJILM-UHFFFAOYSA-N

Compound name

N,N-dibenzyl-2-chloroethanamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 620
References: 1203
Patents: 259.11276 Da
Monoisotopic Mass: 3.8
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]+	260.120036	160.2
[M+Na]+	282.101978	166.1
[M-H]-	258.105484	167.1
[M+NH4]+	277.146583	177.7
[M+K]+	298.075918	160.9
[M+H-H2O]+	242.110020	152.5
[M+HCOO]-	304.110961	180.8
[M+CH3COO]-	318.126611	200.1
[M+Na-2H]-	280.087426	166.2
[M]+	259.11221142	162.7
[M]-	259.11330858	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe