CID 3013146

Chembl359990

Structural Information

Molecular Formula

C₁₅H₁₆FNO₂

SMILES

CC1=C(C2=C(C=CC(=C2)F)NC1=O)OCC3CCC3

InChI

InChI=1S/C15H16FNO2/c1-9-14(19-8-10-3-2-4-10)12-7-11(16)5-6-13(12)17-15(9)18/h5-7,10H,2-4,8H2,1H3,(H,17,18)

InChIKey

UFIVVKQJXGRWAO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 261.11652 Da
Monoisotopic Mass: 2.8
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]+	262.12380	155.4
[M+Na]+	284.10574	163.5
[M-H]-	260.10924	159.1
[M+NH4]+	279.15034	165.2
[M+K]+	300.07968	161.7
[M+H-H2O]+	244.11378	141.9
[M+HCOO]-	306.11472	172.7
[M+CH3COO]-	320.13037	198.7
[M+Na-2H]-	282.09119	159.2
[M]+	261.11597	163.2
[M]-	261.11707	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe