CID 503385

Gw 870x

Structural Information

Molecular Formula

C₁₇H₂₀ClNO₂

SMILES

CC(C)C1=C(C2=C(C=CC(=C2)Cl)NC1=O)OCC3CCC3

InChI

InChI=1S/C17H20ClNO2/c1-10(2)15-16(21-9-11-4-3-5-11)13-8-12(18)6-7-14(13)19-17(15)20/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20)

InChIKey

UKWGTMIZLJKSOE-UHFFFAOYSA-N

Compound name

6-chloro-4-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 305.11826 Da
Monoisotopic Mass: 4.1
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	165.5
[M+Na]+	328.10748	173.3
[M-H]-	304.11098	169.9
[M+NH4]+	323.15208	174.5
[M+K]+	344.08142	170.3
[M+H-H2O]+	288.11552	153.4
[M+HCOO]-	350.11646	177.9
[M+CH3COO]-	364.13211	206.3
[M+Na-2H]-	326.09293	167.5
[M]+	305.11771	176.5
[M]-	305.11881	176.5

Literature stripe

literature stripe

Patent stripe

patents stripe