CID 497684

[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonamide

Structural Information

Molecular Formula
C8H6N4O2S2
SMILES
C1=CC=C2C(=C1)N3C(=NN=C3S(=O)(=O)N)S2
InChI
InChI=1S/C8H6N4O2S2/c9-16(13,14)8-11-10-7-12(8)5-3-1-2-4-6(5)15-7/h1-4H,(H2,9,13,14)
InChIKey
UXJXKEFADLGOHO-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.99323 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00051 151.6
[M+Na]+ 276.98245 167.2
[M-H]- 252.98595 155.3
[M+NH4]+ 272.02705 171.7
[M+K]+ 292.95639 162.4
[M+H-H2O]+ 236.99049 147.4
[M+HCOO]- 298.99143 166.4
[M+CH3COO]- 313.00708 165.6
[M+Na-2H]- 274.96790 157.1
[M]+ 253.99268 158.9
[M]- 253.99378 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.