CID 3000873

Nsc134129

Structural Information

Molecular Formula
C12H10N6O3S4
SMILES
CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3C(=O)NC(=S)S3
InChI
InChI=1S/C12H10N6O3S4/c1-6-14-17-11(23-6)18-25(20,21)8-4-2-7(3-5-8)15-16-10-9(19)13-12(22)24-10/h2-5,10H,1H3,(H,17,18)(H,13,19,22)
InChIKey
IWBXWZSIKAASOK-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.96973 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.97701 194.6
[M+Na]+ 436.95895 204.7
[M-H]- 412.96245 200.2
[M+NH4]+ 432.00355 204.9
[M+K]+ 452.93289 194.6
[M+H-H2O]+ 396.96699 189.0
[M+HCOO]- 458.96793 198.4
[M+CH3COO]- 472.98358 202.2
[M+Na-2H]- 434.94440 196.1
[M]+ 413.96918 193.4
[M]- 413.97028 193.4
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.