CID 497688

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

Structural Information

Molecular Formula
C15H13N5O2S2
SMILES
CC1=CC(=NC(=C1)NS(=O)(=O)C2=NN=C3N2C4=CC=CC=C4S3)C
InChI
InChI=1S/C15H13N5O2S2/c1-9-7-10(2)16-13(8-9)19-24(21,22)15-18-17-14-20(15)11-5-3-4-6-12(11)23-14/h3-8H,1-2H3,(H,16,19)
InChIKey
VUAMUAZBFVVGEQ-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyridin-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

359.05106 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.05834 181.6
[M+Na]+ 382.04028 197.1
[M-H]- 358.04378 187.9
[M+NH4]+ 377.08488 196.5
[M+K]+ 398.01422 190.4
[M+H-H2O]+ 342.04832 176.1
[M+HCOO]- 404.04926 195.0
[M+CH3COO]- 418.06491 193.7
[M+Na-2H]- 380.02573 185.8
[M]+ 359.05051 190.9
[M]- 359.05161 190.9
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.