CID 3043724

Tr 2916

Structural Information

Molecular Formula
C29H31N3O3
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CCCN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H31N3O3/c33-26-29(24-13-6-2-7-14-24,25-15-8-3-9-16-25)30-27(34)32(26)20-10-19-31-21-17-28(35,18-22-31)23-11-4-1-5-12-23/h1-9,11-16,35H,10,17-22H2,(H,30,34)
InChIKey
IDHWZVUGJRHYIR-UHFFFAOYSA-N
Compound name
3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

469.23654 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.243816 216.7
[M+Na]+ 492.225758 220.1
[M-H]- 468.229264 224.5
[M+NH4]+ 487.270363 223.1
[M+K]+ 508.199698 211.9
[M+H-H2O]+ 452.233800 202.6
[M+HCOO]- 514.234741 227.1
[M+CH3COO]- 528.250391 221.7
[M+Na-2H]- 490.211206 214.2
[M]+ 469.23599142 209.3
[M]- 469.23708858 209.3
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

patents stripe