CID 468459

Chembl146829

Structural Information

Molecular Formula
C35H38N2O3
SMILES
C1=CC=C(C=C1)CC[C@@H]2[C@H](N(C(=O)N2CC3=CC(=CC=C3)CO)CC4=CC(=CC=C4)CO)CCC5=CC=CC=C5
InChI
InChI=1S/C35H38N2O3/c38-25-31-15-7-13-29(21-31)23-36-33(19-17-27-9-3-1-4-10-27)34(20-18-28-11-5-2-6-12-28)37(35(36)40)24-30-14-8-16-32(22-30)26-39/h1-16,21-22,33-34,38-39H,17-20,23-26H2/t33-,34-/m1/s1
InChIKey
TZKITFIQVPGGNL-KKLWWLSJSA-N
Compound name
(4R,5R)-1,3-bis[[3-(hydroxymethyl)phenyl]methyl]-4,5-bis(2-phenylethyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.28827 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.29555 236.2
[M+Na]+ 557.27749 238.8
[M-H]- 533.28099 245.2
[M+NH4]+ 552.32209 237.8
[M+K]+ 573.25143 229.2
[M+H-H2O]+ 517.28553 222.2
[M+HCOO]- 579.28647 249.4
[M+CH3COO]- 593.30212 240.4
[M+Na-2H]- 555.26294 230.0
[M]+ 534.28772 234.7
[M]- 534.28882 234.7
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.