CID 23324799

101365-53-1

Structural Information

Molecular Formula

C₁₉H₂₃ClN₂

SMILES

C1CN(CCC1NC2=CC=CC=C2Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C19H23ClN2/c20-18-8-4-5-9-19(18)21-17-11-14-22(15-12-17)13-10-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2

InChIKey

GUDCPDJEQAWBSZ-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 314.15497 Da
Monoisotopic Mass: 5.1
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]+	315.162246	175.5
[M+Na]+	337.144188	179.9
[M-H]-	313.147694	182.0
[M+NH4]+	332.188793	188.5
[M+K]+	353.118128	172.7
[M+H-H2O]+	297.152230	165.6
[M+HCOO]-	359.153171	190.2
[M+CH3COO]-	373.168821	184.7
[M+Na-2H]-	335.129636	178.7
[M]+	314.15442142	172.1
[M]-	314.15551858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe