CID 56842344

86651-05-0

Structural Information

Molecular Formula
C12H13N3O4
SMILES
CCN1C=C(C(=O)C2=CN=C(N=C21)OC)C(=O)OC
InChI
InChI=1S/C12H13N3O4/c1-4-15-6-8(11(17)18-2)9(16)7-5-13-12(19-3)14-10(7)15/h5-6H,4H2,1-3H3
InChIKey
BPFBTKGLQOKVBZ-UHFFFAOYSA-N
Compound name
methyl 8-ethyl-2-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
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 156.7
[M+Na]+ 286.079818 167.9
[M-H]- 262.083324 158.1
[M+NH4]+ 281.124423 170.9
[M+K]+ 302.053758 165.4
[M+H-H2O]+ 246.087860 148.1
[M+HCOO]- 308.088801 176.2
[M+CH3COO]- 322.104451 197.7
[M+Na-2H]- 284.065266 162.6
[M]+ 263.09005142 163.1
[M]- 263.09114858 163.1
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.