CID 3006687

4-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)-n-(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)benzenesulfonamide

Structural Information

Molecular Formula
C12H12N4O3S4
SMILES
CC1N=NC(S1)C2=CC=C(C=C2)S(=O)(=O)NC3C(=O)NC(=S)S3
InChI
InChI=1S/C12H12N4O3S4/c1-6-14-15-10(21-6)7-2-4-8(5-3-7)23(18,19)16-11-9(17)13-12(20)22-11/h2-6,10-11,16H,1H3,(H,13,17,20)
InChIKey
ZXILJSFDVXHSSD-UHFFFAOYSA-N
Compound name
4-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.97922 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.98650 187.8
[M+Na]+ 410.96844 197.7
[M-H]- 386.97194 190.9
[M+NH4]+ 406.01304 198.7
[M+K]+ 426.94238 187.9
[M+H-H2O]+ 370.97648 183.8
[M+HCOO]- 432.97742 186.4
[M+CH3COO]- 446.99307 195.1
[M+Na-2H]- 408.95389 185.7
[M]+ 387.97867 184.6
[M]- 387.97977 184.6
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.