CID 5340

Sulfathiazole

Structural Information

Molecular Formula
C9H9N3O2S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2
InChI
InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
InChIKey
JNMRHUJNCSQMMB-UHFFFAOYSA-N
Compound name
4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

856
References

11797
Patents

255.01363 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.02091 152.4
[M+Na]+ 278.00285 161.7
[M-H]- 254.00635 157.8
[M+NH4]+ 273.04745 169.6
[M+K]+ 293.97679 156.2
[M+H-H2O]+ 238.01089 145.7
[M+HCOO]- 300.01183 167.8
[M+CH3COO]- 314.02748 191.3
[M+Na-2H]- 275.98830 155.8
[M]+ 255.01308 153.0
[M]- 255.01418 153.0
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.