CID 489819

1-[[(3s,4s)-1-(1-naphthyl)-4-phenyl-pyrrolidin-3-yl]methyl]-4-phenyl-piperidine

Structural Information

Molecular Formula
C32H34N2
SMILES
C1CN(CCC1C2=CC=CC=C2)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C32H34N2/c1-3-10-25(11-4-1)26-18-20-33(21-19-26)22-29-23-34(24-31(29)28-12-5-2-6-13-28)32-17-9-15-27-14-7-8-16-30(27)32/h1-17,26,29,31H,18-24H2/t29-,31+/m0/s1
InChIKey
MAVVNKULSGVTKU-IGYGKHONSA-N
Compound name
1-[[(3S,4S)-1-naphthalen-1-yl-4-phenylpyrrolidin-3-yl]methyl]-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.2722 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.27948 214.1
[M+Na]+ 469.26142 215.9
[M-H]- 445.26492 225.0
[M+NH4]+ 464.30602 220.8
[M+K]+ 485.23536 206.1
[M+H-H2O]+ 429.26946 199.3
[M+HCOO]- 491.27040 225.9
[M+CH3COO]- 505.28605 219.4
[M+Na-2H]- 467.24687 210.3
[M]+ 446.27165 205.2
[M]- 446.27275 205.2
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.