CID 2911646

Sf-21

Structural Information

Molecular Formula

C₁₆H₂₃ClN₂O₃S

SMILES

C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCOCC3

InChI

InChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2

InChIKey

AYQCZQKMGKDZPS-UHFFFAOYSA-N

Compound name

4-chloro-N-(2-morpholin-4-ylcyclohexyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 6
Patents: 358.1118 Da
Monoisotopic Mass: 2.5
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]+	359.11908	179.3
[M+Na]+	381.10102	190.3
[M+NH4]+	376.14562	187.0
[M+K]+	397.07496	182.1
[M-H]-	357.10452	185.3
[M+Na-2H]-	379.08647	185.7
[M]+	358.11125	183.2
[M]-	358.11235	183.2

Literature stripe

literature stripe

Patent stripe

patents stripe