CID 135687090

90182-09-5

Structural Information

Molecular Formula

C₁₇H₁₃NO₄

SMILES

COC1=CC=CC=C1C(=O)C2=C(C3=CC=CC=C3NC2=O)O

InChI

InChI=1S/C17H13NO4/c1-22-13-9-5-3-7-11(13)16(20)14-15(19)10-6-2-4-8-12(10)18-17(14)21/h2-9H,1H3,(H2,18,19,21)

InChIKey

IQMNCOJLWGVZAI-UHFFFAOYSA-N

Compound name

4-hydroxy-3-(2-methoxybenzoyl)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 295.08447 Da
Monoisotopic Mass: 2.8
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]+	296.091746	165.0
[M+Na]+	318.073688	174.2
[M-H]-	294.077194	169.4
[M+NH4]+	313.118293	178.5
[M+K]+	334.047628	169.0
[M+H-H2O]+	278.081730	156.7
[M+HCOO]-	340.082671	183.7
[M+CH3COO]-	354.098321	199.1
[M+Na-2H]-	316.059136	169.8
[M]+	295.08392142	165.9
[M]-	295.08501858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe