CID 54680565

Chembl463072

Structural Information

Molecular Formula
C14H15NO5
SMILES
CCOC(=O)C1=C(C2=C(C=CC(=C2)OC)N(C1=O)C)O
InChI
InChI=1S/C14H15NO5/c1-4-20-14(18)11-12(16)9-7-8(19-3)5-6-10(9)15(2)13(11)17/h5-7,16H,4H2,1-3H3
InChIKey
MNINDQQIJZQKSR-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-6-methoxy-1-methyl-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

277.09503 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10231 158.3
[M+Na]+ 300.08425 168.9
[M-H]- 276.08775 161.3
[M+NH4]+ 295.12885 174.3
[M+K]+ 316.05819 166.5
[M+H-H2O]+ 260.09229 151.4
[M+HCOO]- 322.09323 178.5
[M+CH3COO]- 336.10888 199.2
[M+Na-2H]- 298.06970 162.2
[M]+ 277.09448 164.5
[M]- 277.09558 164.5
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.

Patent stripe

No patent data available for this compound.