CID 457845

Chembl414222

Structural Information

Molecular Formula
C22H28N2
SMILES
C1CN(CCC1C2=CC=CC=C2)C[C@H]3CNC[C@@H]3C4=CC=CC=C4
InChI
InChI=1S/C22H28N2/c1-3-7-18(8-4-1)19-11-13-24(14-12-19)17-21-15-23-16-22(21)20-9-5-2-6-10-20/h1-10,19,21-23H,11-17H2/t21-,22-/m1/s1
InChIKey
ZIJSVPUNZCZGCP-FGZHOGPDSA-N
Compound name
4-phenyl-1-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.22525 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23253 179.9
[M+Na]+ 343.21447 181.7
[M-H]- 319.21797 186.5
[M+NH4]+ 338.25907 191.1
[M+K]+ 359.18841 174.5
[M+H-H2O]+ 303.22251 168.4
[M+HCOO]- 365.22345 193.5
[M+CH3COO]- 379.23910 187.4
[M+Na-2H]- 341.19992 178.3
[M]+ 320.22470 169.9
[M]- 320.22580 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.