CID 521698

55895-59-5

Structural Information

Molecular Formula

C₁₃H₁₃NO₄

SMILES

CCOC(=O)C1=CC(=O)C2=C(N1)C(=CC=C2)OC

InChI

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

InChIKey

CXMNCVQZLHTTBT-UHFFFAOYSA-N

Compound name

ethyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	248.091736	151.6
[M+Na]+	270.073678	161.1
[M-H]-	246.077184	154.1
[M+NH4]+	265.118283	168.3
[M+K]+	286.047618	158.1
[M+H-H2O]+	230.081720	144.7
[M+HCOO]-	292.082661	172.1
[M+CH3COO]-	306.098311	191.3
[M+Na-2H]-	268.059126	157.3
[M]+	247.08391142	155.2
[M]-	247.08500858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe