CID 503366

Gw 041x

Structural Information

Molecular Formula

C₁₇H₂₀FNO₂

SMILES

CCCC1=C(C2=C(C=CC(=C2)F)NC1=O)OC3CCCC3

InChI

InChI=1S/C17H20FNO2/c1-2-5-13-16(21-12-6-3-4-7-12)14-10-11(18)8-9-15(14)19-17(13)20/h8-10,12H,2-7H2,1H3,(H,19,20)

InChIKey

ALHPTKXLCPXTSG-UHFFFAOYSA-N

Compound name

4-cyclopentyloxy-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: 3.7
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	166.5
[M+Na]+	312.13702	174.6
[M-H]-	288.14052	170.1
[M+NH4]+	307.18162	183.2
[M+K]+	328.11096	168.8
[M+H-H2O]+	272.14506	158.1
[M+HCOO]-	334.14600	184.3
[M+CH3COO]-	348.16165	199.9
[M+Na-2H]-	310.12247	167.4
[M]+	289.14725	164.6
[M]-	289.14835	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe