CID 497687

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

Structural Information

Molecular Formula
C13H8ClN5O2S2
SMILES
C1=CC=C2C(=C1)N3C(=NN=C3S(=O)(=O)NC4=NC=C(C=C4)Cl)S2
InChI
InChI=1S/C13H8ClN5O2S2/c14-8-5-6-11(15-7-8)18-23(20,21)13-17-16-12-19(13)9-3-1-2-4-10(9)22-12/h1-7H,(H,15,18)
InChIKey
OTHCQHBOUCPLKV-UHFFFAOYSA-N
Compound name
N-(5-chloropyridin-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

364.9808 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.98808 178.8
[M+Na]+ 387.97002 194.9
[M-H]- 363.97352 185.1
[M+NH4]+ 383.01462 194.0
[M+K]+ 403.94396 187.9
[M+H-H2O]+ 347.97806 173.6
[M+HCOO]- 409.97900 188.3
[M+CH3COO]- 423.99465 191.0
[M+Na-2H]- 385.95547 184.0
[M]+ 364.98025 188.8
[M]- 364.98135 188.8
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.