CID 71299801

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

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC=C(C=C1)N2C=C(C(=O)NC2=O)C(=O)O
InChI
InChI=1S/C11H8N2O4/c14-9-8(10(15)16)6-13(11(17)12-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,14,17)
InChIKey
AYQZVCGEIWPVCK-UHFFFAOYSA-N
Compound name
2,4-dioxo-1-phenylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.055676 146.0
[M+Na]+ 255.037618 156.1
[M-H]- 231.041124 148.5
[M+NH4]+ 250.082223 159.7
[M+K]+ 271.011558 151.7
[M+H-H2O]+ 215.045660 138.1
[M+HCOO]- 277.046601 166.1
[M+CH3COO]- 291.062251 184.0
[M+Na-2H]- 253.023066 151.5
[M]+ 232.04785142 145.5
[M]- 232.04894858 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

No patent data available for this compound.