CID 503369

Gw 854x

Structural Information

Molecular Formula

C₁₈H₂₃NO₂

SMILES

CCCC1=C(C2=C(C=CC(=C2)C)NC1=O)OC3CCCC3

InChI

InChI=1S/C18H23NO2/c1-3-6-14-17(21-13-7-4-5-8-13)15-11-12(2)9-10-16(15)19-18(14)20/h9-11,13H,3-8H2,1-2H3,(H,19,20)

InChIKey

OWMLTFHGPONPJB-UHFFFAOYSA-N

Compound name

4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 285.17288 Da
Monoisotopic Mass: 4.0
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]+	286.18016	168.2
[M+Na]+	308.16210	175.7
[M-H]-	284.16560	173.0
[M+NH4]+	303.20670	185.1
[M+K]+	324.13604	170.1
[M+H-H2O]+	268.17014	160.5
[M+HCOO]-	330.17108	186.6
[M+CH3COO]-	344.18673	200.2
[M+Na-2H]-	306.14755	169.1
[M]+	285.17233	167.7
[M]-	285.17343	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe