CID 468457

Chembl357383

Structural Information

Molecular Formula
C35H38N2O4
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)[C@H](CC5=CC=CC=C5)O
InChI
InChI=1S/C35H38N2O4/c38-24-30-15-7-13-28(19-30)22-36-32(18-17-26-9-3-1-4-10-26)34(33(40)21-27-11-5-2-6-12-27)37(35(36)41)23-29-14-8-16-31(20-29)25-39/h1-16,19-20,32-34,38-40H,17-18,21-25H2/t32-,33+,34+/m1/s1
InChIKey
RQJXWDUFROCTBK-WKNISULPSA-N
Compound name
(4S,5R)-1,3-bis[[3-(hydroxymethyl)phenyl]methyl]-4-[(1S)-1-hydroxy-2-phenylethyl]-5-(2-phenylethyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.28314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.29042 237.2
[M+Na]+ 573.27236 238.6
[M-H]- 549.27586 245.2
[M+NH4]+ 568.31696 237.3
[M+K]+ 589.24630 230.0
[M+H-H2O]+ 533.28040 223.8
[M+HCOO]- 595.28134 248.1
[M+CH3COO]- 609.29699 240.6
[M+Na-2H]- 571.25781 230.1
[M]+ 550.28259 235.0
[M]- 550.28369 235.0
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.