CID 489328

(5r)-3-[2-(3-chlorophenyl)-4-(4-phenylpiperidyl)butyl]-5-benzylimidazolidine-2,4-dione

Structural Information

Molecular Formula
C31H34ClN3O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CCC(CN3C(=O)[C@H](NC3=O)CC4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C31H34ClN3O2/c32-28-13-7-12-26(21-28)27(16-19-34-17-14-25(15-18-34)24-10-5-2-6-11-24)22-35-30(36)29(33-31(35)37)20-23-8-3-1-4-9-23/h1-13,21,25,27,29H,14-20,22H2,(H,33,37)/t27?,29-/m1/s1
InChIKey
VHXLXWPIPOBSLS-ZBAATNBSSA-N
Compound name
(5R)-5-benzyl-3-[2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

515.23395 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.24123 229.1
[M+Na]+ 538.22317 231.1
[M-H]- 514.22667 237.0
[M+NH4]+ 533.26777 231.2
[M+K]+ 554.19711 221.0
[M+H-H2O]+ 498.23121 214.6
[M+HCOO]- 560.23215 234.1
[M+CH3COO]- 574.24780 232.7
[M+Na-2H]- 536.20862 221.3
[M]+ 515.23340 224.1
[M]- 515.23450 224.1
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.