CID 3062705

1,6-dihydro-2-(2-ethoxyanilino)-6-oxo-5-pyrimidinecarboxylic acid

Structural Information

Molecular Formula
C13H13N3O4
SMILES
CCOC1=CC=CC=C1NC2=NC=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C13H13N3O4/c1-2-20-10-6-4-3-5-9(10)15-13-14-7-8(12(18)19)11(17)16-13/h3-7H,2H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKey
QDRUTTFFWWQKOW-UHFFFAOYSA-N
Compound name
2-(2-ethoxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.0906 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09788 160.9
[M+Na]+ 298.07982 173.0
[M+NH4]+ 293.12442 165.7
[M+K]+ 314.05376 168.5
[M-H]- 274.08332 161.9
[M+Na-2H]- 296.06527 167.2
[M]+ 275.09005 162.5
[M]- 275.09115 162.5
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