CID 489324

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

Structural Information

Molecular Formula
C33H34ClN3O3
SMILES
C1CN(CCC12CC(=O)C3=CC=CC=C23)CCC(CN4C(=O)[C@H](NC4=O)CC5=CC=CC=C5)C6=CC(=CC=C6)Cl
InChI
InChI=1S/C33H34ClN3O3/c34-26-10-6-9-24(20-26)25(22-37-31(39)29(35-32(37)40)19-23-7-2-1-3-8-23)13-16-36-17-14-33(15-18-36)21-30(38)27-11-4-5-12-28(27)33/h1-12,20,25,29H,13-19,21-22H2,(H,35,40)/t25?,29-/m1/s1
InChIKey
VVPDJLRPPVILJY-SNSSHHSLSA-N
Compound name
(5R)-5-benzyl-3-[2-(3-chlorophenyl)-4-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

555.2289 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.23618 238.8
[M+Na]+ 578.21812 242.6
[M-H]- 554.22162 247.7
[M+NH4]+ 573.26272 244.7
[M+K]+ 594.19206 232.8
[M+H-H2O]+ 538.22616 225.5
[M+HCOO]- 600.22710 242.7
[M+CH3COO]- 614.24275 242.6
[M+Na-2H]- 576.20357 229.4
[M]+ 555.22835 234.9
[M]- 555.22945 234.9
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.