CID 497694

N-(2,5-dimethylphenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonamide

Structural Information

Molecular Formula
C16H14N4O2S2
SMILES
CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=NN=C3N2C4=CC=CC=C4S3
InChI
InChI=1S/C16H14N4O2S2/c1-10-7-8-11(2)12(9-10)19-24(21,22)16-18-17-15-20(16)13-5-3-4-6-14(13)23-15/h3-9,19H,1-2H3
InChIKey
HBWYHFNCHKYRRV-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylphenyl)-[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

358.05582 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06310 182.1
[M+Na]+ 381.04504 197.1
[M-H]- 357.04854 189.4
[M+NH4]+ 376.08964 198.3
[M+K]+ 397.01898 190.4
[M+H-H2O]+ 341.05308 176.8
[M+HCOO]- 403.05402 196.4
[M+CH3COO]- 417.06967 194.4
[M+Na-2H]- 379.03049 186.0
[M]+ 358.05527 191.4
[M]- 358.05637 191.4
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.