CID 197080

4-ketoniridazole

Structural Information

Molecular Formula
C6H4N4O4S
SMILES
C1C(=O)NC(=O)N1C2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C6H4N4O4S/c11-3-2-9(5(12)8-3)6-7-1-4(15-6)10(13)14/h1H,2H2,(H,8,11,12)
InChIKey
CFWSFZFUNZRIFO-UHFFFAOYSA-N
Compound name
1-(5-nitro-1,3-thiazol-2-yl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

227.99533 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00261 145.1
[M+Na]+ 250.98455 153.9
[M-H]- 226.98805 148.2
[M+NH4]+ 246.02915 161.6
[M+K]+ 266.95849 147.3
[M+H-H2O]+ 210.99259 142.9
[M+HCOO]- 272.99353 162.2
[M+CH3COO]- 287.00918 175.4
[M+Na-2H]- 248.97000 147.1
[M]+ 227.99478 142.6
[M]- 227.99588 142.6
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.