CID 139032969

2-chloro-n-(1-phenethylpiperidin-4-yl)-n-phenylpropanamide

Structural Information

Molecular Formula

C₂₂H₂₇ClN₂O

SMILES

CC(C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3

InChIKey

QWBHMXNWOVMXPX-UHFFFAOYSA-N

Compound name

2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 370.18118 Da
Monoisotopic Mass: 4.6
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]+	371.188456	190.5
[M+Na]+	393.170398	192.4
[M-H]-	369.173904	197.8
[M+NH4]+	388.215003	201.2
[M+K]+	409.144338	187.0
[M+H-H2O]+	353.178440	180.0
[M+HCOO]-	415.179381	203.1
[M+CH3COO]-	429.195031	220.6
[M+Na-2H]-	391.155846	189.9
[M]+	370.18063142	188.6
[M]-	370.18172858	188.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.