CID 44147869

94109-80-5

Structural Information

Molecular Formula
C12H15N3O4
SMILES
CCN1CC(C(=O)C2=CN=C(N=C21)OC)C(=O)OC
InChI
InChI=1S/C12H15N3O4/c1-4-15-6-8(11(17)18-2)9(16)7-5-13-12(19-3)14-10(7)15/h5,8H,4,6H2,1-3H3
InChIKey
OLLMUVALDSVZFG-UHFFFAOYSA-N
Compound name
methyl 8-ethyl-2-methoxy-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.10626 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.113536 159.0
[M+Na]+ 288.095478 168.2
[M-H]- 264.098984 159.6
[M+NH4]+ 283.140083 172.9
[M+K]+ 304.069418 166.2
[M+H-H2O]+ 248.103520 150.4
[M+HCOO]- 310.104461 175.6
[M+CH3COO]- 324.120111 198.4
[M+Na-2H]- 286.080926 162.9
[M]+ 265.10571142 162.6
[M]- 265.10680858 162.6
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.