CID 5338

Sulfaquinoxaline

Structural Information

Molecular Formula

C₁₄H₁₂N₄O₂S

SMILES

C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)

InChIKey

NHZLNPMOSADWGC-UHFFFAOYSA-N

Compound name

4-amino-N-quinoxalin-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 223
References: 5350
Patents: 300.06808 Da
Monoisotopic Mass: 1.7
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]+	301.07536	164.5
[M+Na]+	323.05730	173.7
[M-H]-	299.06080	169.3
[M+NH4]+	318.10190	177.4
[M+K]+	339.03124	167.5
[M+H-H2O]+	283.06534	155.9
[M+HCOO]-	345.06628	181.5
[M+CH3COO]-	359.08193	175.4
[M+Na-2H]-	321.04275	173.1
[M]+	300.06753	164.9
[M]-	300.06863	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe