CID 613604

Ethyl 4-hydroxybenzo[h]quinoline-3-carboxylate

Structural Information

Molecular Formula

C₁₆H₁₃NO₃

SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=CC3=CC=CC=C32

InChI

InChI=1S/C16H13NO3/c1-2-20-16(19)13-9-17-14-11-6-4-3-5-10(11)7-8-12(14)15(13)18/h3-9H,2H2,1H3,(H,17,18)

InChIKey

BAQQTXLPROBUPE-UHFFFAOYSA-N

Compound name

ethyl 4-oxo-1H-benzo[h]quinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 267.08954 Da
Monoisotopic Mass: 3.2
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]+	268.09682	157.9
[M+Na]+	290.07876	174.1
[M+NH4]+	285.12336	166.1
[M+K]+	306.05270	166.3
[M-H]-	266.08226	160.4
[M+Na-2H]-	288.06421	165.1
[M]+	267.08899	161.0
[M]-	267.09009	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe