CID 16728014

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

Structural Information

Molecular Formula
C28H32N2O3S
SMILES
C1CN(CCC1C2=CC=CC=C2)C[C@@H]3CN(C[C@]3(C4=CC=CC=C4)O)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C28H32N2O3S/c31-28(25-12-6-2-7-13-25)22-30(34(32,33)27-14-8-3-9-15-27)21-26(28)20-29-18-16-24(17-19-29)23-10-4-1-5-11-23/h1-15,24,26,31H,16-22H2/t26-,28-/m1/s1
InChIKey
NVCCODSZDWJUKW-IXCJQBJRSA-N
Compound name
(3S,4R)-1-(benzenesulfonyl)-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

476.21338 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.22066 215.8
[M+Na]+ 499.20260 219.1
[M-H]- 475.20610 225.9
[M+NH4]+ 494.24720 222.8
[M+K]+ 515.17654 212.0
[M+H-H2O]+ 459.21064 204.4
[M+HCOO]- 521.21158 223.6
[M+CH3COO]- 535.22723 221.5
[M+Na-2H]- 497.18805 213.6
[M]+ 476.21283 210.8
[M]- 476.21393 210.8
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.