CID 135988481

3-[4-methyl-6-oxo-2-(pyridin-3-yl)-1,6-dihydropyrimidin-5-yl]propanoic acid

Structural Information

Molecular Formula
C13H13N3O3
SMILES
CC1=C(C(=O)NC(=N1)C2=CN=CC=C2)CCC(=O)O
InChI
InChI=1S/C13H13N3O3/c1-8-10(4-5-11(17)18)13(19)16-12(15-8)9-3-2-6-14-7-9/h2-3,6-7H,4-5H2,1H3,(H,17,18)(H,15,16,19)
InChIKey
YIYBUHQTPMHBGA-UHFFFAOYSA-N
Compound name
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0957 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 158.5
[M+Na]+ 282.08492 172.2
[M+NH4]+ 277.12952 163.6
[M+K]+ 298.05886 166.9
[M-H]- 258.08842 159.0
[M+Na-2H]- 280.07037 165.1
[M]+ 259.09515 160.3
[M]- 259.09625 160.3
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.