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: 850
References: 11176
Patents: 255.01363 Da
Monoisotopic Mass: 0.1
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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe