CID 497691

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

Structural Information

Molecular Formula
C11H7N5O2S3
SMILES
C1=CC=C2C(=C1)N3C(=NN=C3S(=O)(=O)NC4=NC=CS4)S2
InChI
InChI=1S/C11H7N5O2S3/c17-21(18,15-9-12-5-6-19-9)11-14-13-10-16(11)7-3-1-2-4-8(7)20-10/h1-6H,(H,12,15)
InChIKey
NKPKQBIHCSDHPU-UHFFFAOYSA-N
Compound name
N-(1,3-thiazol-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

336.9762 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.98348 172.3
[M+Na]+ 359.96542 189.2
[M-H]- 335.96892 178.9
[M+NH4]+ 355.01002 190.0
[M+K]+ 375.93936 183.7
[M+H-H2O]+ 319.97346 169.9
[M+HCOO]- 381.97440 183.4
[M+CH3COO]- 395.99005 185.1
[M+Na-2H]- 357.95087 176.0
[M]+ 336.97565 181.0
[M]- 336.97675 181.0
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.