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 159.7
[M+Na]+ 298.07982 167.5
[M-H]- 274.08332 161.7
[M+NH4]+ 293.12442 171.2
[M+K]+ 314.05376 163.4
[M+H-H2O]+ 258.08786 150.8
[M+HCOO]- 320.08880 179.9
[M+CH3COO]- 334.10445 195.9
[M+Na-2H]- 296.06527 164.6
[M]+ 275.09005 159.8
[M]- 275.09115 159.8
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