CID 11187377

(s)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione

Structural Information

Molecular Formula
C20H18FNO4
SMILES
C1[C@@H](N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C20H18FNO4/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/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m1/s1
InChIKey
XXSSRSVXDNUAQX-QGZVFWFLSA-N
Compound name
1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

355.12198 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12926 182.5
[M+Na]+ 378.11120 188.5
[M-H]- 354.11470 190.0
[M+NH4]+ 373.15580 193.7
[M+K]+ 394.08514 185.2
[M+H-H2O]+ 338.11924 172.6
[M+HCOO]- 400.12018 200.2
[M+CH3COO]- 414.13583 212.3
[M+Na-2H]- 376.09665 180.8
[M]+ 355.12143 182.5
[M]- 355.12253 182.5
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