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

680
References

10803
Patents

249.0572 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.