CID 5373687

35482-56-5

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC(=N2)C
InChI
InChI=1S/C12H12N2O3/c1-3-17-12(16)9-6-13-11-8(10(9)15)5-4-7(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKey
KPXWNJGVBKCXKB-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

82
Patents

232.0848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 149.3
[M+Na]+ 255.074018 159.4
[M-H]- 231.077524 150.5
[M+NH4]+ 250.118623 165.4
[M+K]+ 271.047958 155.7
[M+H-H2O]+ 215.082060 141.9
[M+HCOO]- 277.083001 168.6
[M+CH3COO]- 291.098651 188.9
[M+Na-2H]- 253.059466 155.5
[M]+ 232.08425142 151.6
[M]- 232.08534858 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe