CID 503399

Gw 301x

Structural Information

Molecular Formula

C₁₈H₂₀FNO₂

SMILES

CCC(C)C#COC1=C(C(=O)NC2=C1C=C(C=C2)F)C(C)C

InChI

InChI=1S/C18H20FNO2/c1-5-12(4)8-9-22-17-14-10-13(19)6-7-15(14)20-18(21)16(17)11(2)3/h6-7,10-12H,5H2,1-4H3,(H,20,21)

InChIKey

BGECEVIRYCFEHC-UHFFFAOYSA-N

Compound name

6-fluoro-4-(3-methylpent-1-ynoxy)-3-propan-2-yl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 301.1478 Da
Monoisotopic Mass: 4.5
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]+	302.15508	170.4
[M+Na]+	324.13702	180.9
[M-H]-	300.14052	169.3
[M+NH4]+	319.18162	183.4
[M+K]+	340.11096	173.8
[M+H-H2O]+	284.14506	156.7
[M+HCOO]-	346.14600	181.4
[M+CH3COO]-	360.16165	210.9
[M+Na-2H]-	322.12247	169.9
[M]+	301.14725	165.7
[M]-	301.14835	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe