CID 16728010

(3s,4r)-1-benzyl-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-3-ol

Structural Information

Molecular Formula
C29H34N2O
SMILES
C1CN(CCC1C2=CC=CC=C2)C[C@@H]3CN(C[C@]3(C4=CC=CC=C4)O)CC5=CC=CC=C5
InChI
InChI=1S/C29H34N2O/c32-29(27-14-8-3-9-15-27)23-31(20-24-10-4-1-5-11-24)22-28(29)21-30-18-16-26(17-19-30)25-12-6-2-7-13-25/h1-15,26,28,32H,16-23H2/t28-,29-/m1/s1
InChIKey
CRTREFHQNCOJOQ-FQLXRVMXSA-N
Compound name
(3S,4R)-1-benzyl-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.26712 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.27440 208.5
[M+Na]+ 449.25634 210.2
[M-H]- 425.25984 218.0
[M+NH4]+ 444.30094 216.7
[M+K]+ 465.23028 201.9
[M+H-H2O]+ 409.26438 194.7
[M+HCOO]- 471.26532 220.9
[M+CH3COO]- 485.28097 214.2
[M+Na-2H]- 447.24179 205.4
[M]+ 426.26657 199.9
[M]- 426.26767 199.9
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.