CID 489335

Chembl319628

Structural Information

Molecular Formula
C28H33N5O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CCC(CN3C(=O)[C@H](NC3=O)CC4=CN=CN4)C5=CC=CC=C5
InChI
InChI=1S/C28H33N5O2/c34-27-26(17-25-18-29-20-30-25)31-28(35)33(27)19-24(22-9-5-2-6-10-22)13-16-32-14-11-23(12-15-32)21-7-3-1-4-8-21/h1-10,18,20,23-24,26H,11-17,19H2,(H,29,30)(H,31,35)/t24?,26-/m1/s1
InChIKey
DZHBVHZXCWRTLK-JUERFOTFSA-N
Compound name
(5R)-5-(1H-imidazol-5-ylmethyl)-3-[2-phenyl-4-(4-phenylpiperidin-1-yl)butyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.26343 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.27071 214.3
[M+Na]+ 494.25265 215.3
[M-H]- 470.25615 219.7
[M+NH4]+ 489.29725 215.8
[M+K]+ 510.22659 206.5
[M+H-H2O]+ 454.26069 200.4
[M+HCOO]- 516.26163 222.0
[M+CH3COO]- 530.27728 217.8
[M+Na-2H]- 492.23810 206.2
[M]+ 471.26288 206.0
[M]- 471.26398 206.0
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.