CID 497690

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

Structural Information

Molecular Formula
C12H8N6O2S2
SMILES
C1=CC=C2C(=C1)N3C(=NN=C3S(=O)(=O)NC4=NC=CC=N4)S2
InChI
InChI=1S/C12H8N6O2S2/c19-22(20,17-10-13-6-3-7-14-10)12-16-15-11-18(12)8-4-1-2-5-9(8)21-11/h1-7H,(H,13,14,17)
InChIKey
PIDKTPMGTHNWTN-UHFFFAOYSA-N
Compound name
N-pyrimidin-2-yl-[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

332.015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.02228 170.4
[M+Na]+ 355.00422 185.9
[M-H]- 331.00772 175.3
[M+NH4]+ 350.04882 184.6
[M+K]+ 370.97816 179.7
[M+H-H2O]+ 315.01226 164.6
[M+HCOO]- 377.01320 183.8
[M+CH3COO]- 391.02885 182.6
[M+Na-2H]- 352.98967 177.1
[M]+ 332.01445 178.3
[M]- 332.01555 178.3
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.