CID 687496

301682-71-3

Structural Information

Molecular Formula

C₂₂H₂₃NO₃

SMILES

CCOC1=CC2=C(C=C1)OC(=C2C(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO3/c1-2-25-17-11-12-19-18(15-17)20(22(24)23-13-7-4-8-14-23)21(26-19)16-9-5-3-6-10-16/h3,5-6,9-12,15H,2,4,7-8,13-14H2,1H3

InChIKey

FKGHSCOYHUWFOZ-UHFFFAOYSA-N

Compound name

(5-ethoxy-2-phenyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 349.1678 Da
Monoisotopic Mass: 4.6
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]+	350.175076	183.8
[M+Na]+	372.157018	190.0
[M-H]-	348.160524	193.3
[M+NH4]+	367.201623	196.3
[M+K]+	388.130958	186.1
[M+H-H2O]+	332.165060	174.1
[M+HCOO]-	394.166001	201.8
[M+CH3COO]-	408.181651	194.0
[M+Na-2H]-	370.142466	185.1
[M]+	349.16725142	184.5
[M]-	349.16834858	184.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.