CID 24744702

3'-chloro-4,4'-dimethyl-1-piperidinecarboxanilide

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O

SMILES

CC1CCN(CC1)C(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C14H19ClN2O/c1-10-5-7-17(8-6-10)14(18)16-12-4-3-11(2)13(15)9-12/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)

InChIKey

YWPHVVAMHMCRDH-UHFFFAOYSA-N

Compound name

N-(3-chloro-4-methylphenyl)-4-methylpiperidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.1186 Da
Monoisotopic Mass: 4.0
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]+	267.125876	162.1
[M+Na]+	289.107818	168.4
[M-H]-	265.111324	166.8
[M+NH4]+	284.152423	178.0
[M+K]+	305.081758	163.6
[M+H-H2O]+	249.115860	154.7
[M+HCOO]-	311.116801	176.7
[M+CH3COO]-	325.132451	198.5
[M+Na-2H]-	287.093266	163.6
[M]+	266.11805142	159.9
[M]-	266.11914858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe