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 186.4
[M+Na]+ 376.16832 191.7
[M-H]- 352.17182 192.8
[M+NH4]+ 371.21292 200.9
[M+K]+ 392.14226 186.7
[M+H-H2O]+ 336.17636 175.9
[M+HCOO]- 398.17730 200.3
[M+CH3COO]- 412.19295 195.3
[M+Na-2H]- 374.15377 187.2
[M]+ 353.17855 182.6
[M]- 353.17965 182.6
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.