CID 135434384

2-[3-((1e)-2-carboxyvinyl)phenyl]-5,6-dihydroxypyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C14H10N2O6
SMILES
C1=CC(=CC(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O)/C=C/C(=O)O
InChI
InChI=1S/C14H10N2O6/c17-9(18)5-4-7-2-1-3-8(6-7)12-15-10(14(21)22)11(19)13(20)16-12/h1-6,19H,(H,17,18)(H,21,22)(H,15,16,20)/b5-4+
InChIKey
ULMMNXQDUOZPPW-SNAWJCMRSA-N
Compound name
2-[3-[(E)-2-carboxyethenyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0539 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06118 164.3
[M+Na]+ 325.04312 172.5
[M-H]- 301.04662 164.0
[M+NH4]+ 320.08772 173.5
[M+K]+ 341.01706 167.5
[M+H-H2O]+ 285.05116 156.2
[M+HCOO]- 347.05210 179.8
[M+CH3COO]- 361.06775 194.2
[M+Na-2H]- 323.02857 165.5
[M]+ 302.05335 163.0
[M]- 302.05445 163.0
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.