CID 474114

(4r,5r)-1,3-bis-(3-hydroxy-benzyl)-4,5-diphenethyl-imidazolidin-2-one

Structural Information

Molecular Formula
C33H34N2O3
SMILES
C1=CC=C(C=C1)CC[C@@H]2[C@H](N(C(=O)N2CC3=CC(=CC=C3)O)CC4=CC(=CC=C4)O)CCC5=CC=CC=C5
InChI
InChI=1S/C33H34N2O3/c36-29-15-7-13-27(21-29)23-34-31(19-17-25-9-3-1-4-10-25)32(20-18-26-11-5-2-6-12-26)35(33(34)38)24-28-14-8-16-30(37)22-28/h1-16,21-22,31-32,36-37H,17-20,23-24H2/t31-,32-/m1/s1
InChIKey
SSTNGCFURPFHDL-ROJLCIKYSA-N
Compound name
(4R,5R)-1,3-bis[(3-hydroxyphenyl)methyl]-4,5-bis(2-phenylethyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.25696 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.26424 228.1
[M+Na]+ 529.24618 231.7
[M-H]- 505.24968 237.6
[M+NH4]+ 524.29078 230.9
[M+K]+ 545.22012 222.4
[M+H-H2O]+ 489.25422 214.5
[M+HCOO]- 551.25516 242.0
[M+CH3COO]- 565.27081 233.3
[M+Na-2H]- 527.23163 222.9
[M]+ 506.25641 226.1
[M]- 506.25751 226.1
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.