CID 497385

(5r)-3-[3,5-difluoro-4-[1-(2-hydroxyethanethioyl)-3,6-dihydro-2h-pyridin-4-yl]phenyl]-5-(isoxazol-3-yloxymethyl)oxazolidin-2-one

Structural Information

Molecular Formula
C20H19F2N3O5S
SMILES
C1CN(CC=C1C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NOC=C4)F)C(=S)CO
InChI
InChI=1S/C20H19F2N3O5S/c21-15-7-13(25-9-14(30-20(25)27)11-28-17-3-6-29-23-17)8-16(22)19(15)12-1-4-24(5-2-12)18(31)10-26/h1,3,6-8,14,26H,2,4-5,9-11H2/t14-/m1/s1
InChIKey
OXCSNWNTWUIJIH-CQSZACIVSA-N
Compound name
(5R)-3-[3,5-difluoro-4-[1-(2-hydroxyethanethioyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.10135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.10863 202.1
[M+Na]+ 474.09057 209.9
[M-H]- 450.09407 209.5
[M+NH4]+ 469.13517 207.7
[M+K]+ 490.06451 206.5
[M+H-H2O]+ 434.09861 192.7
[M+HCOO]- 496.09955 209.8
[M+CH3COO]- 510.11520 210.0
[M+Na-2H]- 472.07602 194.3
[M]+ 451.10080 203.2
[M]- 451.10190 203.2
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.