CID 199887

Brn 1659061

Structural Information

Molecular Formula

C₂₀H₂₁ClN₂O₂

SMILES

C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN2O2/c21-16-9-10-18(22-19(24)14-23-11-5-2-6-12-23)17(13-16)20(25)15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,24)

InChIKey

AGHCYBDSJMYTAM-UHFFFAOYSA-N

Compound name

N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 356.12915 Da
Monoisotopic Mass: 4.9
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]+	357.136426	183.9
[M+Na]+	379.118368	187.7
[M-H]-	355.121874	190.7
[M+NH4]+	374.162973	194.8
[M+K]+	395.092308	181.5
[M+H-H2O]+	339.126410	174.1
[M+HCOO]-	401.127351	197.1
[M+CH3COO]-	415.143001	214.0
[M+Na-2H]-	377.103816	184.5
[M]+	356.12860142	181.2
[M]-	356.12969858	181.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe