CID 135434750

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

Structural Information

Molecular Formula
C9H7N3O5
SMILES
CC1=CC(=NO1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C9H7N3O5/c1-3-2-4(12-17-3)7-10-5(9(15)16)6(13)8(14)11-7/h2,13H,1H3,(H,15,16)(H,10,11,14)
InChIKey
WNZDFEHHWFNVQW-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(5-methyl-1,2-oxazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.03857 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04585 147.3
[M+Na]+ 260.02779 158.1
[M-H]- 236.03129 148.5
[M+NH4]+ 255.07239 159.5
[M+K]+ 276.00173 155.5
[M+H-H2O]+ 220.03583 139.8
[M+HCOO]- 282.03677 165.0
[M+CH3COO]- 296.05242 183.0
[M+Na-2H]- 258.01324 150.5
[M]+ 237.03802 148.7
[M]- 237.03912 148.7
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.