CID 33676046

2,4-dioxo-3-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)O
InChI
InChI=1S/C11H8N2O4/c14-9-8(10(15)16)6-12-11(17)13(9)7-4-2-1-3-5-7/h1-6H,(H,12,17)(H,15,16)
InChIKey
XPJCKTHELWCTTN-UHFFFAOYSA-N
Compound name
2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

232.0484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 146.0
[M+Na]+ 255.03762 156.1
[M-H]- 231.04112 148.5
[M+NH4]+ 250.08222 159.7
[M+K]+ 271.01156 151.7
[M+H-H2O]+ 215.04566 138.1
[M+HCOO]- 277.04660 166.1
[M+CH3COO]- 291.06225 184.0
[M+Na-2H]- 253.02307 151.5
[M]+ 232.04785 145.5
[M]- 232.04895 145.5
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

patents stripe