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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.00261	144.3
[M+Na]+	250.98455	153.7
[M+NH4]+	246.02915	149.9
[M+K]+	266.95849	155.0
[M-H]-	226.98805	144.7
[M+Na-2H]-	248.97000	146.8
[M]+	227.99478	145.5
[M]-	227.99588	145.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.