CID 680333

13605-87-3

Structural Information

Molecular Formula

C₂₀H₁₃NO₂

SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C20H13NO2/c22-20(23)17-12-19(21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H,22,23)

InChIKey

LLMCWSJMTWWINZ-UHFFFAOYSA-N

Compound name

2-naphthalen-2-ylquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 299.09464 Da
Monoisotopic Mass: 4.6
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]+	300.10192	168.2
[M+Na]+	322.08386	177.9
[M-H]-	298.08736	174.5
[M+NH4]+	317.12846	182.9
[M+K]+	338.05780	171.2
[M+H-H2O]+	282.09190	158.8
[M+HCOO]-	344.09284	187.9
[M+CH3COO]-	358.10849	179.6
[M+Na-2H]-	320.06931	176.4
[M]+	299.09409	169.2
[M]-	299.09519	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe