CID 135897515

4-methyl-2-(5-methylfuran-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CC1=CC=C(O1)C2=NC(=C(C(=O)N2)C(=O)O)C
InChI
InChI=1S/C11H10N2O4/c1-5-3-4-7(17-5)9-12-6(2)8(11(15)16)10(14)13-9/h3-4H,1-2H3,(H,15,16)(H,12,13,14)
InChIKey
SNVLRHYJZOWBSY-UHFFFAOYSA-N
Compound name
4-methyl-2-(5-methylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 148.0
[M+Na]+ 257.05328 158.7
[M-H]- 233.05678 151.7
[M+NH4]+ 252.09788 162.7
[M+K]+ 273.02722 156.1
[M+H-H2O]+ 217.06132 141.1
[M+HCOO]- 279.06226 167.8
[M+CH3COO]- 293.07791 185.9
[M+Na-2H]- 255.03873 150.9
[M]+ 234.06351 150.1
[M]- 234.06461 150.1
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.