CID 5060617

8-ethyl-2,4-dimethyl-5-oxo-5,8-dihydropyrido(2,3-d)pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C12H13N3O3
SMILES
CCN1C=C(C(=O)C2=C(N=C(N=C21)C)C)C(=O)O
InChI
InChI=1S/C12H13N3O3/c1-4-15-5-8(12(17)18)10(16)9-6(2)13-7(3)14-11(9)15/h5H,4H2,1-3H3,(H,17,18)
InChIKey
BEKJAQOJVTVZMG-UHFFFAOYSA-N
Compound name
8-ethyl-2,4-dimethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.102966 154.5
[M+Na]+ 270.084908 166.4
[M-H]- 246.088414 155.0
[M+NH4]+ 265.129513 169.1
[M+K]+ 286.058848 162.5
[M+H-H2O]+ 230.092950 146.8
[M+HCOO]- 292.093891 172.3
[M+CH3COO]- 306.109541 195.1
[M+Na-2H]- 268.070356 159.2
[M]+ 247.09514142 158.2
[M]- 247.09623858 158.2
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.