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

literature stripe

Patent stripe

patents stripe