CID 71605072

Nfepp

Structural Information

Molecular Formula
C22H27FN2O
SMILES
CCC(=O)N(C1CCN(CC1F)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27FN2O/c1-2-22(26)25(19-11-7-4-8-12-19)21-14-16-24(17-20(21)23)15-13-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3
InChIKey
DMCQJJAWMFBPOX-UHFFFAOYSA-N
Compound name
N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

18
Patents

354.21075 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21803 187.7
[M+Na]+ 377.19997 190.1
[M-H]- 353.20347 194.2
[M+NH4]+ 372.24457 198.5
[M+K]+ 393.17391 185.3
[M+H-H2O]+ 337.20801 175.6
[M+HCOO]- 399.20895 204.7
[M+CH3COO]- 413.22460 220.0
[M+Na-2H]- 375.18542 187.3
[M]+ 354.21020 183.2
[M]- 354.21130 183.2
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.