CID 15956255

Ethyl 2-(8-cyclopentyl-4-quinolyl)acetate

Structural Information

Molecular Formula

C₁₈H₂₁NO₂

SMILES

CCOC(=O)CC1=C2C=CC=C(C2=NC=C1)C3CCCC3

InChI

InChI=1S/C18H21NO2/c1-2-21-17(20)12-14-10-11-19-18-15(8-5-9-16(14)18)13-6-3-4-7-13/h5,8-11,13H,2-4,6-7,12H2,1H3

InChIKey

PIHPAWPXGFTNQU-UHFFFAOYSA-N

Compound name

ethyl 2-(8-cyclopentylquinolin-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 283.15723 Da
Monoisotopic Mass: 4.3
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]+	284.164506	168.2
[M+Na]+	306.146448	174.0
[M-H]-	282.149954	173.7
[M+NH4]+	301.191053	185.2
[M+K]+	322.120388	169.8
[M+H-H2O]+	266.154490	159.8
[M+HCOO]-	328.155431	187.2
[M+CH3COO]-	342.171081	200.5
[M+Na-2H]-	304.131896	169.7
[M]+	283.15668142	167.9
[M]-	283.15777858	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.