CID 135434361

2-(3-aminophenyl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H9N3O4
SMILES
C1=CC(=CC(=C1)N)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C11H9N3O4/c12-6-3-1-2-5(4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,12H2,(H,17,18)(H,13,14,16)
InChIKey
PSTHNIJYZQRUBE-UHFFFAOYSA-N
Compound name
2-(3-aminophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05931 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06659 152.5
[M+Na]+ 270.04853 161.8
[M-H]- 246.05203 153.4
[M+NH4]+ 265.09313 164.5
[M+K]+ 286.02247 156.9
[M+H-H2O]+ 230.05657 144.6
[M+HCOO]- 292.05751 171.2
[M+CH3COO]- 306.07316 188.6
[M+Na-2H]- 268.03398 156.1
[M]+ 247.05876 149.6
[M]- 247.05986 149.6
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.