CID 239350

5-diazo-2,4,6(1h, 3h, 5h)-pyrimidinetrione

Structural Information

Molecular Formula
C4H3N4O3
SMILES
C1(=C(NC(=O)NC1=O)O)[N+]#N
InChI
InChI=1S/C4H2N4O3/c5-8-1-2(9)6-4(11)7-3(1)10/h(H2-,6,7,9,10,11)/p+1
InChIKey
OAZDCJVJMWHYPJ-UHFFFAOYSA-O
Compound name
6-hydroxy-2,4-dioxo-1H-pyrimidine-5-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

155.02051 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02779 128.1
[M+Na]+ 178.00973 139.5
[M-H]- 154.01323 127.4
[M+NH4]+ 173.05433 142.7
[M+K]+ 193.98367 132.4
[M+H-H2O]+ 138.01777 117.5
[M+HCOO]- 200.01871 146.4
[M+CH3COO]- 214.03436 177.7
[M+Na-2H]- 175.99518 137.3
[M]+ 155.01996 120.1
[M]- 155.02106 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.