CID 2754544

5-[[(4-methoxyphenyl)amino]imino]barbituric acid

Structural Information

Molecular Formula
C11H10N4O4
SMILES
COC1=CC=C(C=C1)N=NC2=C(NC(=O)NC2=O)O
InChI
InChI=1S/C11H10N4O4/c1-19-7-4-2-6(3-5-7)14-15-8-9(16)12-11(18)13-10(8)17/h2-5H,1H3,(H3,12,13,16,17,18)
InChIKey
WVYBGEFKWZMDGT-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[(4-methoxyphenyl)diazenyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0702 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07748 154.0
[M+Na]+ 285.05942 163.9
[M-H]- 261.06292 158.1
[M+NH4]+ 280.10402 166.9
[M+K]+ 301.03336 159.8
[M+H-H2O]+ 245.06746 145.0
[M+HCOO]- 307.06840 178.6
[M+CH3COO]- 321.08405 196.6
[M+Na-2H]- 283.04487 161.3
[M]+ 262.06965 154.8
[M]- 262.07075 154.8
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.