CID 489334

Chembl105417

Structural Information

Molecular Formula
C33H36N4O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CCC(CN3C(=O)[C@H](NC3=O)CC4=CNC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C33H36N4O2/c38-32-31(21-28-22-34-30-14-8-7-13-29(28)30)35-33(39)37(32)23-27(25-11-5-2-6-12-25)17-20-36-18-15-26(16-19-36)24-9-3-1-4-10-24/h1-14,22,26-27,31,34H,15-21,23H2,(H,35,39)/t27?,31-/m1/s1
InChIKey
MRVANJKCNSLBID-SLJLDQLWSA-N
Compound name
(5R)-5-(1H-indol-3-ylmethyl)-3-[2-phenyl-4-(4-phenylpiperidin-1-yl)butyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

520.2838 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.29108 226.8
[M+Na]+ 543.27302 228.6
[M-H]- 519.27652 234.4
[M+NH4]+ 538.31762 228.6
[M+K]+ 559.24696 218.4
[M+H-H2O]+ 503.28106 213.1
[M+HCOO]- 565.28200 235.0
[M+CH3COO]- 579.29765 230.2
[M+Na-2H]- 541.25847 218.9
[M]+ 520.28325 220.0
[M]- 520.28435 220.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.