CID 557632

N-(1-benzylpiperidin-4-yl)-2-chloropropanamide

Structural Information

Molecular Formula

C₁₅H₂₁ClN₂O

SMILES

CC(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C15H21ClN2O/c1-12(16)15(19)17-14-7-9-18(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,17,19)

InChIKey

XWIKFLBCYBWMDX-UHFFFAOYSA-N

Compound name

N-(1-benzylpiperidin-4-yl)-2-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.13425 Da
Monoisotopic Mass: 2.6
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]+	281.141526	166.1
[M+Na]+	303.123468	169.7
[M-H]-	279.126974	169.8
[M+NH4]+	298.168073	180.6
[M+K]+	319.097408	165.1
[M+H-H2O]+	263.131510	158.1
[M+HCOO]-	325.132451	179.3
[M+CH3COO]-	339.148101	200.6
[M+Na-2H]-	301.108916	167.4
[M]+	280.13370142	163.0
[M]-	280.13479858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe