CID 3057135

Spiro(benzofuran-3(2h),4'-piperidine)-2-one, 1'-(3-(p-fluorobenzoyl)propyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₂FNO₃

SMILES

C1CN(CCC12C3=CC=CC=C3OC2=O)CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FNO3/c23-17-9-7-16(8-10-17)19(25)5-3-13-24-14-11-22(12-15-24)18-4-1-2-6-20(18)27-21(22)26/h1-2,4,6-10H,3,5,11-15H2

InChIKey

AUWGOGKQFGKHRF-UHFFFAOYSA-N

Compound name

1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[1-benzofuran-3,4'-piperidine]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 367.1584 Da
Monoisotopic Mass: 3.5
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]+	368.165676	188.4
[M+Na]+	390.147618	194.7
[M-H]-	366.151124	195.2
[M+NH4]+	385.192223	202.5
[M+K]+	406.121558	189.9
[M+H-H2O]+	350.155660	178.1
[M+HCOO]-	412.156601	202.6
[M+CH3COO]-	426.172251	197.5
[M+Na-2H]-	388.133066	188.7
[M]+	367.15785142	185.7
[M]-	367.15894858	185.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.