CID 71675

Clobenzorex

Structural Information

Molecular Formula

C₁₆H₁₈ClN

SMILES

CC(CC1=CC=CC=C1)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3

InChIKey

LRXXRIXDSAEIOR-UHFFFAOYSA-N

Compound name

N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 33269
References: 3960
Patents: 259.11276 Da
Monoisotopic Mass: 4.3
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]+	260.12004	160.9
[M+Na]+	282.10198	176.2
[M+NH4]+	277.14658	171.0
[M+K]+	298.07592	166.3
[M-H]-	258.10548	167.2
[M+Na-2H]-	280.08743	171.3
[M]+	259.11221	165.4
[M]-	259.11331	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe