CID 28743373

1038262-35-9

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]+ 264.097876 156.2
[M+Na]+ 286.079818 169.0
[M-H]- 262.083324 157.0
[M+NH4]+ 281.124423 170.2
[M+K]+ 302.053758 165.1
[M+H-H2O]+ 246.087860 148.6
[M+HCOO]- 308.088801 174.2
[M+CH3COO]- 322.104451 198.0
[M+Na-2H]- 284.065266 160.1
[M]+ 263.09005142 161.0
[M]- 263.09114858 161.0
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.