CID 503365

Gw 149x

Structural Information

Molecular Formula

C₁₇H₂₀ClNO₂

SMILES

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

InChI

InChI=1S/C17H20ClNO2/c1-2-5-13-16(21-12-6-3-4-7-12)14-10-11(18)8-9-15(14)19-17(13)20/h8-10,12H,2-7H2,1H3,(H,19,20)

InChIKey

YQUCZBOYLWUICR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 305.11826 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]+	306.12554	171.1
[M+Na]+	328.10748	179.9
[M-H]-	304.11098	175.8
[M+NH4]+	323.15208	188.1
[M+K]+	344.08142	172.9
[M+H-H2O]+	288.11552	164.1
[M+HCOO]-	350.11646	185.2
[M+CH3COO]-	364.13211	182.1
[M+Na-2H]-	326.09293	172.0
[M]+	305.11771	172.4
[M]-	305.11881	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe