CID 5336

Sulfapyridine

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂S

SMILES

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)

InChIKey

GECHUMIMRBOMGK-UHFFFAOYSA-N

Compound name

4-amino-N-pyridin-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 679
References: 10780
Patents: 249.0572 Da
Monoisotopic Mass: 0.0
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]+	250.06448	151.8
[M+Na]+	272.04642	160.0
[M-H]-	248.04992	157.2
[M+NH4]+	267.09102	167.1
[M+K]+	288.02036	155.1
[M+H-H2O]+	232.05446	144.0
[M+HCOO]-	294.05540	171.3
[M+CH3COO]-	308.07105	192.8
[M+Na-2H]-	270.03187	158.6
[M]+	249.05665	151.3
[M]-	249.05775	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe