CID 2735724

387350-81-4

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₂S

SMILES

C1CC1N(C2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H19ClN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2

InChIKey

VPHDHADTKGTAEZ-UHFFFAOYSA-N

Compound name

4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 22
Patents: 314.08557 Da
Monoisotopic Mass: 2.4
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]+	315.09285	169.9
[M+Na]+	337.07479	182.3
[M+NH4]+	332.11939	178.5
[M+K]+	353.04873	175.5
[M-H]-	313.07829	180.7
[M+Na-2H]-	335.06024	179.3
[M]+	314.08502	176.4
[M]-	314.08612	176.4

Literature stripe

literature stripe

Patent stripe

patents stripe