CID 503398

Gw 350x

Structural Information

Molecular Formula

C₁₈H₁₈FNO₂

SMILES

CC(C)CC1=C(C2=C(C=CC(=C2)F)NC1=O)OC#CC3CC3

InChI

InChI=1S/C18H18FNO2/c1-11(2)9-15-17(22-8-7-12-3-4-12)14-10-13(19)5-6-16(14)20-18(15)21/h5-6,10-12H,3-4,9H2,1-2H3,(H,20,21)

InChIKey

NPURFNXVKDQEQM-UHFFFAOYSA-N

Compound name

4-(2-cyclopropylethynoxy)-6-fluoro-3-(2-methylpropyl)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 299.13217 Da
Monoisotopic Mass: 4.2
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]+	300.13945	165.4
[M+Na]+	322.12139	181.8
[M-H]-	298.12489	169.3
[M+NH4]+	317.16599	175.8
[M+K]+	338.09533	170.4
[M+H-H2O]+	282.12943	153.9
[M+HCOO]-	344.13037	179.6
[M+CH3COO]-	358.14602	210.8
[M+Na-2H]-	320.10684	168.1
[M]+	299.13162	164.1
[M]-	299.13272	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe