CID 18482

3161-50-0

Structural Information

Molecular Formula

C₁₇H₂₀ClN

SMILES

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

InChI

InChI=1S/C17H20ClN/c18-12-7-13-19(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2

InChIKey

LHJJKBNOKYQDFO-UHFFFAOYSA-N

Compound name

N,N-dibenzyl-3-chloropropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 273.12842 Da
Monoisotopic Mass: 4.2
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]+	274.13570	164.9
[M+Na]+	296.11764	170.3
[M-H]-	272.12114	171.6
[M+NH4]+	291.16224	181.8
[M+K]+	312.09158	164.9
[M+H-H2O]+	256.12568	156.9
[M+HCOO]-	318.12662	185.1
[M+CH3COO]-	332.14227	203.1
[M+Na-2H]-	294.10309	170.3
[M]+	273.12787	167.7
[M]-	273.12897	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe