CID 135434386

954241-09-9

Structural Information

Molecular Formula
C12H10N2O4
SMILES
CC1=CC=C(C=C1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C12H10N2O4/c1-6-2-4-7(5-3-6)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16)
InChIKey
WWIKOLOWSANPCN-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.06406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 152.1
[M+Na]+ 269.05328 161.8
[M-H]- 245.05678 153.4
[M+NH4]+ 264.09788 164.8
[M+K]+ 285.02722 157.1
[M+H-H2O]+ 229.06132 144.4
[M+HCOO]- 291.06226 170.0
[M+CH3COO]- 305.07791 186.7
[M+Na-2H]- 267.03873 155.8
[M]+ 246.06351 151.2
[M]- 246.06461 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.