CID 6325654

2-[4-(3,4-methylenedioxyphenyl)butyl]-4(1h)-quinolinone

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

C1OC2=C(O1)C=C(C=C2)CCCCC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H19NO3/c22-18-12-15(21-17-8-4-3-7-16(17)18)6-2-1-5-14-9-10-19-20(11-14)24-13-23-19/h3-4,7-12H,1-2,5-6,13H2,(H,21,22)

InChIKey

WVIITJBBQPBPEB-UHFFFAOYSA-N

Compound name

2-[4-(1,3-benzodioxol-5-yl)butyl]-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 321.1365 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]+	322.143776	174.5
[M+Na]+	344.125718	182.8
[M-H]-	320.129224	181.5
[M+NH4]+	339.170323	187.7
[M+K]+	360.099658	178.6
[M+H-H2O]+	304.133760	166.2
[M+HCOO]-	366.134701	191.6
[M+CH3COO]-	380.150351	185.4
[M+Na-2H]-	342.111166	179.8
[M]+	321.13595142	177.0
[M]-	321.13704858	177.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.