CID 489331

(5r)-3-[2-(3-chlorophenyl)-4-(4-phenyl-1-piperidyl)butyl]-5-(1h-indol-3-ylmethyl)imidazolidine-2,4-dione

Structural Information

Molecular Formula
C33H35ClN4O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CCC(CN3C(=O)[C@H](NC3=O)CC4=CNC5=CC=CC=C54)C6=CC(=CC=C6)Cl
InChI
InChI=1S/C33H35ClN4O2/c34-28-10-6-9-25(19-28)26(15-18-37-16-13-24(14-17-37)23-7-2-1-3-8-23)22-38-32(39)31(36-33(38)40)20-27-21-35-30-12-5-4-11-29(27)30/h1-12,19,21,24,26,31,35H,13-18,20,22H2,(H,36,40)/t26?,31-/m1/s1
InChIKey
HJLPYDCDKYIKCT-VALFACCDSA-N
Compound name
(5R)-3-[2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

554.2449 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.25218 235.6
[M+Na]+ 577.23412 238.9
[M-H]- 553.23762 243.2
[M+NH4]+ 572.27872 237.2
[M+K]+ 593.20806 227.8
[M+H-H2O]+ 537.24216 221.6
[M+HCOO]- 599.24310 239.0
[M+CH3COO]- 613.25875 238.7
[M+Na-2H]- 575.21957 226.3
[M]+ 554.24435 231.6
[M]- 554.24545 231.6
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.