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 149.7
[M+Na]+ 257.05328 162.3
[M+NH4]+ 252.09788 155.0
[M+K]+ 273.02722 160.7
[M-H]- 233.05678 151.0
[M+Na-2H]- 255.03873 154.2
[M]+ 234.06351 151.5
[M]- 234.06461 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.