CID 3013147

Chembl188868

Structural Information

Molecular Formula

C₁₆H₁₈FNO₂

SMILES

CCC1=C(C2=C(C=CC(=C2)F)NC1=O)OCC3CCC3

InChI

InChI=1S/C16H18FNO2/c1-2-12-15(20-9-10-4-3-5-10)13-8-11(17)6-7-14(13)18-16(12)19/h6-8,10H,2-5,9H2,1H3,(H,18,19)

InChIKey

CERPSDUBSGDEHH-UHFFFAOYSA-N

Compound name

4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 275.13217 Da
Monoisotopic Mass: 3.2
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]+	276.13945	160.1
[M+Na]+	298.12139	167.8
[M-H]-	274.12489	163.6
[M+NH4]+	293.16599	169.4
[M+K]+	314.09533	165.7
[M+H-H2O]+	258.12943	146.4
[M+HCOO]-	320.13037	177.1
[M+CH3COO]-	334.14602	201.6
[M+Na-2H]-	296.10684	163.4
[M]+	275.13162	168.2
[M]-	275.13272	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe