CID 469738

Schembl7379504

Structural Information

Molecular Formula
C47H44F2N2O3
SMILES
C1=CC=C(C=C1)C[C@@H]([C@@H]2[C@H](N(C(=O)N2CC3=CC(=CC=C3)OCC4=CC=CC=C4)CC5=CC(=CC=C5)OCC6=CC=CC=C6)[C@H](CC7=CC=CC=C7)F)F
InChI
InChI=1S/C47H44F2N2O3/c48-43(29-35-15-5-1-6-16-35)45-46(44(49)30-36-17-7-2-8-18-36)51(32-40-24-14-26-42(28-40)54-34-38-21-11-4-12-22-38)47(52)50(45)31-39-23-13-25-41(27-39)53-33-37-19-9-3-10-20-37/h1-28,43-46H,29-34H2/t43-,44-,45+,46+/m0/s1
InChIKey
KWUPYVIZZYKJGQ-LZCGGXSTSA-N
Compound name
(4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis[(3-phenylmethoxyphenyl)methyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

722.332 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.33928 279.0
[M+Na]+ 745.32122 277.7
[M-H]- 721.32472 291.2
[M+NH4]+ 740.36582 271.7
[M+K]+ 761.29516 267.7
[M+H-H2O]+ 705.32926 258.5
[M+HCOO]- 767.33020 287.5
[M+CH3COO]- 781.34585 278.5
[M+Na-2H]- 743.30667 267.9
[M]+ 722.33145 275.0
[M]- 722.33255 275.0
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

patents stripe