CID 5060617

Dtxsid50407909

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]+ 248.10297 154.5
[M+Na]+ 270.08491 166.4
[M-H]- 246.08841 155.0
[M+NH4]+ 265.12951 169.1
[M+K]+ 286.05885 162.5
[M+H-H2O]+ 230.09295 146.8
[M+HCOO]- 292.09389 172.3
[M+CH3COO]- 306.10954 195.1
[M+Na-2H]- 268.07036 159.2
[M]+ 247.09514 158.2
[M]- 247.09624 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.