CID 5234748

109036-15-9

Structural Information

Molecular Formula

C₁₇H₁₉ClN₂

SMILES

C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H19ClN2/c18-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2

InChIKey

RLZPNIGECDMAJH-UHFFFAOYSA-N

Compound name

1-[(2-chlorophenyl)-phenylmethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 286.1237 Da
Monoisotopic Mass: 3.4
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]+	287.130976	166.5
[M+Na]+	309.112918	170.9
[M-H]-	285.116424	170.3
[M+NH4]+	304.157523	178.5
[M+K]+	325.086858	163.7
[M+H-H2O]+	269.120960	156.5
[M+HCOO]-	331.121901	176.9
[M+CH3COO]-	345.137551	175.3
[M+Na-2H]-	307.098366	169.6
[M]+	286.12315142	160.7
[M]-	286.12424858	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe