CID 3116171

313267-77-5

Structural Information

Molecular Formula

C₁₉H₂₃ClN₂O₂S

SMILES

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

InChI

InChI=1S/C19H23ClN2O2S/c20-17-9-11-18(12-10-17)25(23,24)21-15-19(16-7-3-1-4-8-16)22-13-5-2-6-14-22/h1,3-4,7-12,19,21H,2,5-6,13-15H2

InChIKey

MMFSCIJKSNXBJC-UHFFFAOYSA-N

Compound name

4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 378.11688 Da
Monoisotopic Mass: 3.9
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]+	379.124156	185.7
[M+Na]+	401.106098	189.8
[M-H]-	377.109604	192.5
[M+NH4]+	396.150703	196.3
[M+K]+	417.080038	183.1
[M+H-H2O]+	361.114140	176.9
[M+HCOO]-	423.115081	193.9
[M+CH3COO]-	437.130731	213.7
[M+Na-2H]-	399.091546	187.5
[M]+	378.11633142	184.7
[M]-	378.11742858	184.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.