CID 489805

Chembl93644

Structural Information

Molecular Formula
C29H33N3O
SMILES
C1CN(CCC1C2=CC=CC=C2)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
InChI
InChI=1S/C29H33N3O/c33-29(30-27-14-8-3-9-15-27)32-21-26(28(22-32)25-12-6-2-7-13-25)20-31-18-16-24(17-19-31)23-10-4-1-5-11-23/h1-15,24,26,28H,16-22H2,(H,30,33)/t26-,28+/m0/s1
InChIKey
COMVHBCGMOXRMN-XTEPFMGCSA-N
Compound name
(3S,4S)-N,3-diphenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.26236 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.26964 208.9
[M+Na]+ 462.25158 209.0
[M-H]- 438.25508 219.4
[M+NH4]+ 457.29618 214.8
[M+K]+ 478.22552 201.3
[M+H-H2O]+ 422.25962 195.1
[M+HCOO]- 484.26056 222.9
[M+CH3COO]- 498.27621 214.3
[M+Na-2H]- 460.23703 205.3
[M]+ 439.26181 199.8
[M]- 439.26291 199.8
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.