CID 28743373

5-ethyl-1,3-dimethyl-2,4-dioxo-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C12H13N3O4
SMILES
CCC1=C2C(=NC=C1C(=O)O)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C12H13N3O4/c1-4-6-7(11(17)18)5-13-9-8(6)10(16)15(3)12(19)14(9)2/h5H,4H2,1-3H3,(H,17,18)
InChIKey
LQJNQIJNCPMCEZ-UHFFFAOYSA-N
Compound name
5-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0906 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09788 158.0
[M+Na]+ 286.07982 172.2
[M+NH4]+ 281.12442 162.9
[M+K]+ 302.05376 167.7
[M-H]- 262.08332 156.9
[M+Na-2H]- 284.06527 161.4
[M]+ 263.09005 159.5
[M]- 263.09115 159.5
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.

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No patent data available for this compound.