CID 459621

Ethyl 4-hydroxy-8-methoxy-3-methylquinoline-2-carboxylate

Structural Information

Molecular Formula
C14H15NO4
SMILES
CCOC(=O)C1=C(C(=O)C2=C(N1)C(=CC=C2)OC)C
InChI
InChI=1S/C14H15NO4/c1-4-19-14(17)11-8(2)13(16)9-6-5-7-10(18-3)12(9)15-11/h5-7H,4H2,1-3H3,(H,15,16)
InChIKey
FCVIMHFZWTWHLG-UHFFFAOYSA-N
Compound name
ethyl 8-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

261.1001 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 156.0
[M+Na]+ 284.08932 165.9
[M-H]- 260.09282 158.6
[M+NH4]+ 279.13392 172.4
[M+K]+ 300.06326 162.7
[M+H-H2O]+ 244.09736 149.1
[M+HCOO]- 306.09830 176.1
[M+CH3COO]- 320.11395 195.6
[M+Na-2H]- 282.07477 160.4
[M]+ 261.09955 160.3
[M]- 261.10065 160.3
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

patents stripe