CID 54702664

(4,6-dihydroxy(2-pyridyl))(3a-hydro-1,2,4-triazolo[3,4-b]benzothiazol-3-ylsulfonyl)amine

Structural Information

Molecular Formula
C13H9N5O4S2
SMILES
C1=CC=C2C(=C1)N3C(=NN=C3S(=O)(=O)NC4=CC(=CC(=O)N4)O)S2
InChI
InChI=1S/C13H9N5O4S2/c19-7-5-10(14-11(20)6-7)17-24(21,22)13-16-15-12-18(13)8-3-1-2-4-9(8)23-12/h1-6H,(H3,14,17,19,20)
InChIKey
VZTPWTRYIMDRCE-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-6-oxo-1H-pyridin-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

363.00958 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.01686 177.8
[M+Na]+ 385.99880 192.5
[M-H]- 362.00230 181.7
[M+NH4]+ 381.04340 190.7
[M+K]+ 401.97274 185.5
[M+H-H2O]+ 346.00684 173.3
[M+HCOO]- 408.00778 189.4
[M+CH3COO]- 422.02343 188.9
[M+Na-2H]- 383.98425 183.4
[M]+ 363.00903 185.0
[M]- 363.01013 185.0
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.