CID 66890

Sulfaclozine

Structural Information

Molecular Formula

C₁₀H₉ClN₄O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl

InChI

InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)

InChIKey

QKLPUVXBJHRFQZ-UHFFFAOYSA-N

Compound name

4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 641
Patents: 284.0135 Da
Monoisotopic Mass: 0.9
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]+	285.02078	158.3
[M+Na]+	307.00272	168.3
[M-H]-	283.00622	162.7
[M+NH4]+	302.04732	171.9
[M+K]+	322.97666	162.0
[M+H-H2O]+	267.01076	150.8
[M+HCOO]-	329.01170	172.1
[M+CH3COO]-	343.02735	197.5
[M+Na-2H]-	304.98817	164.4
[M]+	284.01295	160.2
[M]-	284.01405	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe