CID 17380982

4-benzyl-n-(3-chloro-4-methylphenyl)-1-piperidinecarboxamide

Structural Information

Molecular Formula

C₂₀H₂₃ClN₂O

SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O/c1-15-7-8-18(14-19(15)21)22-20(24)23-11-9-17(10-12-23)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3,(H,22,24)

InChIKey

ROEWXNCKIIUNMX-UHFFFAOYSA-N

Compound name

4-benzyl-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 342.1499 Da
Monoisotopic Mass: 4.8
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]+	343.157176	183.1
[M+Na]+	365.139118	188.0
[M-H]-	341.142624	190.1
[M+NH4]+	360.183723	195.2
[M+K]+	381.113058	181.3
[M+H-H2O]+	325.147160	173.4
[M+HCOO]-	387.148101	196.9
[M+CH3COO]-	401.163751	192.1
[M+Na-2H]-	363.124566	183.9
[M]+	342.14935142	180.5
[M]-	342.15044858	180.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.