CID 52823

Brn 5618218

Structural Information

Molecular Formula
C22H24FNO2
SMILES
C1CN(CCC12COC3=CC=CC=C23)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24FNO2/c23-18-9-7-17(8-10-18)20(25)5-3-13-24-14-11-22(12-15-24)16-26-21-6-2-1-4-19(21)22/h1-2,4,6-10H,3,5,11-16H2
InChIKey
NLLWFQSRJVHDMI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1791 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18638 188.2
[M+Na]+ 376.16832 200.4
[M+NH4]+ 371.21292 197.6
[M+K]+ 392.14226 191.8
[M-H]- 352.17182 193.2
[M+Na-2H]- 374.15377 194.6
[M]+ 353.17855 191.5
[M]- 353.17965 191.5
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.