CID 471776

Chembl168487

Structural Information

Molecular Formula
C16H12N4O3S3
SMILES
CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4S3
InChI
InChI=1S/C16H12N4O3S3/c1-10-17-18-16(24-10)19-26(22,23)12-8-6-11(7-9-12)20-15(21)13-4-2-3-5-14(13)25-20/h2-9H,1H3,(H,18,19)
InChIKey
ADEWQHDSHRAOHA-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.00714 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.01442 191.9
[M+Na]+ 426.99636 206.2
[M-H]- 402.99986 200.3
[M+NH4]+ 422.04096 204.8
[M+K]+ 442.97030 198.0
[M+H-H2O]+ 387.00440 187.0
[M+HCOO]- 449.00534 201.5
[M+CH3COO]- 463.02099 202.6
[M+Na-2H]- 424.98181 194.2
[M]+ 404.00659 198.5
[M]- 404.00769 198.5
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.