CID 11411498

272778-12-8

Structural Information

Molecular Formula
C39H46F2N2O5Si2
SMILES
C[Si](C)(C)OC1=CC=C(C=C1)[C@H]([C@@H](CC[C@@H](C2=CC=C(C=C2)F)O[Si](C)(C)C)C(=O)N3[C@H](COC3=O)C4=CC=CC=C4)NC5=CC=C(C=C5)F
InChI
InChI=1S/C39H46F2N2O5Si2/c1-49(2,3)47-33-22-14-29(15-23-33)37(42-32-20-18-31(41)19-21-32)34(24-25-36(48-50(4,5)6)28-12-16-30(40)17-13-28)38(44)43-35(26-46-39(43)45)27-10-8-7-9-11-27/h7-23,34-37,42H,24-26H2,1-6H3/t34-,35-,36+,37-/m1/s1
InChIKey
XXMINDVVBVJXLN-GOFGAPPUSA-N
Compound name
(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

716.2913 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.29858 269.0
[M+Na]+ 739.28052 267.2
[M-H]- 715.28402 279.1
[M+NH4]+ 734.32512 264.6
[M+K]+ 755.25446 264.4
[M+H-H2O]+ 699.28856 254.4
[M+HCOO]- 761.28950 275.7
[M+CH3COO]- 775.30515 280.1
[M+Na-2H]- 737.26597 261.0
[M]+ 716.29075 269.1
[M]- 716.29185 269.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe