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

157
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

literature stripe

Patent stripe

patents stripe