CID 71068

1245-13-2

Structural Information

Molecular Formula

C₂₀H₁₂N₂O₄

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H12N2O4/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18/h1-10H,(H,23,24)(H,25,26)

InChIKey

AFYNADDZULBEJA-UHFFFAOYSA-N

Compound name

2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1531
References: 31960
Patents: 344.0797 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]+	345.08698	178.5
[M+Na]+	367.06892	195.4
[M+NH4]+	362.11352	185.3
[M+K]+	383.04286	188.4
[M-H]-	343.07242	181.9
[M+Na-2H]-	365.05437	186.6
[M]+	344.07915	182.0
[M]-	344.08025	182.0

Literature stripe

literature stripe

Patent stripe

patents stripe