CID 459620

Schembl6300691

Structural Information

Molecular Formula

C₁₇H₁₃NO₄

SMILES

COC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)O)C3=CC=CC=C3

InChI

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

InChIKey

FHQNPGWMMDDLCP-UHFFFAOYSA-N

Compound name

6-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 295.08447 Da
Monoisotopic Mass: 3.5
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]+	296.09175	165.0
[M+Na]+	318.07369	174.2
[M-H]-	294.07719	169.4
[M+NH4]+	313.11829	178.5
[M+K]+	334.04763	169.0
[M+H-H2O]+	278.08173	156.7
[M+HCOO]-	340.08267	183.7
[M+CH3COO]-	354.09832	199.1
[M+Na-2H]-	316.05914	169.8
[M]+	295.08392	165.9
[M]-	295.08502	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe