CID 503382

Gw 347x

Structural Information

Molecular Formula

C₁₇H₂₀FNO₂

SMILES

CCCC1=C(C2=C(C=CC(=C2)F)NC1=O)OCC3CCC3

InChI

InChI=1S/C17H20FNO2/c1-2-4-13-16(21-10-11-5-3-6-11)14-9-12(18)7-8-15(14)19-17(13)20/h7-9,11H,2-6,10H2,1H3,(H,19,20)

InChIKey

GNIVMZRBPBRPOZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 289.1478 Da
Monoisotopic Mass: 3.8
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]+	290.15508	164.8
[M+Na]+	312.13702	172.0
[M-H]-	288.14052	168.1
[M+NH4]+	307.18162	173.5
[M+K]+	328.11096	169.8
[M+H-H2O]+	272.14506	150.8
[M+HCOO]-	334.14600	181.5
[M+CH3COO]-	348.16165	204.5
[M+Na-2H]-	310.12247	167.5
[M]+	289.14725	173.2
[M]-	289.14835	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe