CID 503368

Gw 007x

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

CCCC1=C(C2=CC=CC=C2NC1=O)OC3CCCC3

InChI

InChI=1S/C17H21NO2/c1-2-7-14-16(20-12-8-3-4-9-12)13-10-5-6-11-15(13)18-17(14)19/h5-6,10-12H,2-4,7-9H2,1H3,(H,18,19)

InChIKey

AIYDCRWOULZFMS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 271.15723 Da
Monoisotopic Mass: 3.6
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]+	272.16451	163.5
[M+Na]+	294.14645	170.6
[M-H]-	270.14995	168.1
[M+NH4]+	289.19105	180.7
[M+K]+	310.12039	165.2
[M+H-H2O]+	254.15449	155.8
[M+HCOO]-	316.15543	182.4
[M+CH3COO]-	330.17108	196.1
[M+Na-2H]-	292.13190	165.7
[M]+	271.15668	162.3
[M]-	271.15778	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe