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

12
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

literature stripe

Patent stripe

patents stripe