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

1
Patents

469.23654 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.24382 216.7
[M+Na]+ 492.22576 220.1
[M-H]- 468.22926 224.5
[M+NH4]+ 487.27036 223.1
[M+K]+ 508.19970 211.9
[M+H-H2O]+ 452.23380 202.6
[M+HCOO]- 514.23474 227.1
[M+CH3COO]- 528.25039 221.7
[M+Na-2H]- 490.21121 214.2
[M]+ 469.23599 209.3
[M]- 469.23709 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