CID 734502

18101-58-1

Structural Information

Molecular Formula

C₇H₇N₃O₂S₂

SMILES

C1=CC2=C(C=C1S(=O)(=O)N)SC(=N2)N

InChI

InChI=1S/C7H7N3O2S2/c8-7-10-5-2-1-4(14(9,11)12)3-6(5)13-7/h1-3H,(H2,8,10)(H2,9,11,12)

InChIKey

CGJUKQLMOOVGOC-UHFFFAOYSA-N

Compound name

2-amino-1,3-benzothiazole-6-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 228.99797 Da
Monoisotopic Mass: 0.6
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]+	230.00525	143.8
[M+Na]+	251.98719	155.6
[M-H]-	227.99069	147.0
[M+NH4]+	247.03179	163.4
[M+K]+	267.96113	150.2
[M+H-H2O]+	211.99523	138.6
[M+HCOO]-	273.99617	158.7
[M+CH3COO]-	288.01182	187.5
[M+Na-2H]-	249.97264	148.4
[M]+	228.99742	146.1
[M]-	228.99852	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe