CID 16072890

Chembl213235

Structural Information

Molecular Formula

C₂₂H₂₁NO₂

SMILES

C1CCC(CC1)C2=C(N=C3C=CC(=CC3=C2)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO2/c24-22(25)17-11-12-20-18(13-17)14-19(15-7-3-1-4-8-15)21(23-20)16-9-5-2-6-10-16/h2,5-6,9-15H,1,3-4,7-8H2,(H,24,25)

InChIKey

QFABODRYARQEBM-UHFFFAOYSA-N

Compound name

3-cyclohexyl-2-phenylquinoline-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 331.15723 Da
Monoisotopic Mass: 5.9
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]+	332.164506	179.4
[M+Na]+	354.146448	184.0
[M-H]-	330.149954	186.1
[M+NH4]+	349.191053	191.0
[M+K]+	370.120388	177.7
[M+H-H2O]+	314.154490	169.0
[M+HCOO]-	376.155431	194.3
[M+CH3COO]-	390.171081	188.1
[M+Na-2H]-	352.131896	181.8
[M]+	331.15668142	174.0
[M]-	331.15777858	174.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.