CID 10269700

(4s)-3-[(5s)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C20H20FNO4
SMILES
C1[C@@H](N(C(=O)O1)C(=O)CCC[C@@H](C2=CC=C(C=C2)F)O)C3=CC=CC=C3
InChI
InChI=1S/C20H20FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,23H,4,7-8,13H2/t17-,18+/m1/s1
InChIKey
AVAZNWOHQJYCEL-MSOLQXFVSA-N
Compound name
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

155
Patents

357.13763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14491 183.8
[M+Na]+ 380.12685 189.0
[M-H]- 356.13035 189.9
[M+NH4]+ 375.17145 194.2
[M+K]+ 396.10079 185.5
[M+H-H2O]+ 340.13489 174.1
[M+HCOO]- 402.13583 199.7
[M+CH3COO]- 416.15148 210.6
[M+Na-2H]- 378.11230 181.7
[M]+ 357.13708 182.7
[M]- 357.13818 182.7
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.