CID 497686

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

Structural Information

Molecular Formula
C14H11N5O2S2
SMILES
CC1=CC(=NC=C1)NS(=O)(=O)C2=NN=C3N2C4=CC=CC=C4S3
InChI
InChI=1S/C14H11N5O2S2/c1-9-6-7-15-12(8-9)18-23(20,21)14-17-16-13-19(14)10-4-2-3-5-11(10)22-13/h2-8H,1H3,(H,15,18)
InChIKey
SNBDXHGOBOVBPF-UHFFFAOYSA-N
Compound name
N-(4-methylpyridin-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

345.03543 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04271 176.4
[M+Na]+ 368.02465 191.7
[M-H]- 344.02815 182.5
[M+NH4]+ 363.06925 191.6
[M+K]+ 383.99859 185.3
[M+H-H2O]+ 328.03269 170.8
[M+HCOO]- 390.03363 190.3
[M+CH3COO]- 404.04928 188.7
[M+Na-2H]- 366.01010 181.7
[M]+ 345.03488 185.0
[M]- 345.03598 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.