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 158.1
[M+Na]+ 282.08492 167.2
[M-H]- 258.08842 158.8
[M+NH4]+ 277.12952 169.4
[M+K]+ 298.05886 162.0
[M+H-H2O]+ 242.09296 149.1
[M+HCOO]- 304.09390 175.7
[M+CH3COO]- 318.10955 191.4
[M+Na-2H]- 280.07037 162.5
[M]+ 259.09515 158.0
[M]- 259.09625 158.0
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.