CID 10541953

(5r)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C14H17FN2O4
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CO)F
InChI
InChI=1S/C14H17FN2O4/c15-12-7-10(17-8-11(9-18)21-14(17)19)1-2-13(12)16-3-5-20-6-4-16/h1-2,7,11,18H,3-6,8-9H2/t11-/m1/s1
InChIKey
OLDRPBWULXUVTL-LLVKDONJSA-N
Compound name
(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

296.11725 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12453 167.1
[M+Na]+ 319.10647 173.3
[M-H]- 295.10997 172.3
[M+NH4]+ 314.15107 177.6
[M+K]+ 335.08041 171.6
[M+H-H2O]+ 279.11451 157.5
[M+HCOO]- 341.11545 180.2
[M+CH3COO]- 355.13110 197.9
[M+Na-2H]- 317.09192 167.0
[M]+ 296.11670 163.2
[M]- 296.11780 163.2
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