CID 239350

Diazobarbituric acid

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

239
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 127.3
[M+Na]+ 178.00973 140.0
[M+NH4]+ 173.05433 130.5
[M+K]+ 193.98367 134.2
[M-H]- 154.01323 120.7
[M+Na-2H]- 175.99518 130.7
[M]+ 155.01996 126.3
[M]- 155.02106 126.3
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.