CID 489325

(5r)-3-[2-(3-chlorophenyl)-4-(1-oxospiro[indane-3,4'-piperidine]-10-yl)butyl]-5-phenylimidazolidine-2,4-dione

Structural Information

Molecular Formula
C32H32ClN3O3
SMILES
C1CN(CCC12CC(=O)C3=CC=CC=C23)CCC(CN4C(=O)[C@H](NC4=O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl
InChI
InChI=1S/C32H32ClN3O3/c33-25-10-6-9-23(19-25)24(21-36-30(38)29(34-31(36)39)22-7-2-1-3-8-22)13-16-35-17-14-32(15-18-35)20-28(37)26-11-4-5-12-27(26)32/h1-12,19,24,29H,13-18,20-21H2,(H,34,39)/t24?,29-/m1/s1
InChIKey
MGIDXWHXFOXZPR-HOINCLMKSA-N
Compound name
(5R)-3-[2-(3-chlorophenyl)-4-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)butyl]-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

541.2132 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.22048 234.8
[M+Na]+ 564.20242 239.2
[M-H]- 540.20592 244.0
[M+NH4]+ 559.24702 241.3
[M+K]+ 580.17636 229.5
[M+H-H2O]+ 524.21046 221.7
[M+HCOO]- 586.21140 239.1
[M+CH3COO]- 600.22705 239.1
[M+Na-2H]- 562.18787 225.9
[M]+ 541.21265 230.7
[M]- 541.21375 230.7
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.