CID 68234

525-48-4

Structural Information

Molecular Formula

C₁₇H₁₁NO₅

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H11NO5/c19-15-6-5-9(7-12(15)17(22)23)14-8-11(16(20)21)10-3-1-2-4-13(10)18-14/h1-8,19H,(H,20,21)(H,22,23)

InChIKey

KIWASCBIBBHEML-UHFFFAOYSA-N

Compound name

2-(3-carboxy-4-hydroxyphenyl)quinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 13
Patents: 309.06372 Da
Monoisotopic Mass: 3.1
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]+	310.070996	167.2
[M+Na]+	332.052938	175.4
[M-H]-	308.056444	170.3
[M+NH4]+	327.097543	179.2
[M+K]+	348.026878	170.9
[M+H-H2O]+	292.060980	159.2
[M+HCOO]-	354.061921	183.6
[M+CH3COO]-	368.077571	200.1
[M+Na-2H]-	330.038386	170.6
[M]+	309.06317142	167.2
[M]-	309.06426858	167.2

Literature stripe

literature stripe

Patent stripe

patents stripe