CID 304556

Ethyl 4-hydroxy-8-methoxyquinoline-3-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₃NO₄

SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2OC

InChI

InChI=1S/C13H13NO4/c1-3-18-13(16)9-7-14-11-8(12(9)15)5-4-6-10(11)17-2/h4-7H,3H2,1-2H3,(H,14,15)

InChIKey

HCYNWEIHLHVPEW-UHFFFAOYSA-N

Compound name

ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 247.08446 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.09174	152.7
[M+Na]+	270.07368	166.1
[M+NH4]+	265.11828	159.5
[M+K]+	286.04762	160.4
[M-H]-	246.07718	153.3
[M+Na-2H]-	268.05913	157.9
[M]+	247.08391	154.6
[M]-	247.08501	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe