CID 135434235

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

Structural Information

Molecular Formula
C11H7N3O6
SMILES
C1=CC=C(C(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C11H7N3O6/c15-8-7(11(17)18)12-9(13-10(8)16)5-3-1-2-4-6(5)14(19)20/h1-4,15H,(H,17,18)(H,12,13,16)
InChIKey
PPGWUHOWRNUDSW-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(2-nitrophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.03348 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04076 153.5
[M+Na]+ 300.02270 161.5
[M-H]- 276.02620 155.0
[M+NH4]+ 295.06730 163.7
[M+K]+ 315.99664 153.4
[M+H-H2O]+ 260.03074 149.9
[M+HCOO]- 322.03168 172.8
[M+CH3COO]- 336.04733 184.5
[M+Na-2H]- 298.00815 160.1
[M]+ 277.03293 150.7
[M]- 277.03403 150.7
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.