CID 70403

Chlorcyclohexamide

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₃S

SMILES

C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)

InChIKey

TYZHJGCYLYXPSB-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)sulfonyl-3-cyclohexylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 5
Patents: 316.06485 Da
Monoisotopic Mass: 3.4
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]+	317.07213	167.9
[M+Na]+	339.05407	177.1
[M+NH4]+	334.09867	175.0
[M+K]+	355.02801	169.8
[M-H]-	315.05757	170.9
[M+Na-2H]-	337.03952	173.8
[M]+	316.06430	170.5
[M]-	316.06540	170.5

Literature stripe

literature stripe

Patent stripe

patents stripe