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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16568 188.4
[M+Na]+ 390.14762 194.7
[M-H]- 366.15112 195.2
[M+NH4]+ 385.19222 202.5
[M+K]+ 406.12156 189.9
[M+H-H2O]+ 350.15566 178.1
[M+HCOO]- 412.15660 202.6
[M+CH3COO]- 426.17225 197.5
[M+Na-2H]- 388.13307 188.7
[M]+ 367.15785 185.7
[M]- 367.15895 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.