CID 497396

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

Structural Information

Molecular Formula
C26H23F2N3O6S
SMILES
C1CN(CC=C1C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NOC=C4)F)C(=O)C(O)SC5=CC=CC=C5
InChI
InChI=1S/C26H23F2N3O6S/c27-20-12-17(31-14-18(37-26(31)34)15-35-22-8-11-36-29-22)13-21(28)23(20)16-6-9-30(10-7-16)24(32)25(33)38-19-4-2-1-3-5-19/h1-6,8,11-13,18,25,33H,7,9-10,14-15H2/t18-,25?/m1/s1
InChIKey
LBOICVHTHSKZFN-YDONVPIESA-N
Compound name
(5R)-3-[3,5-difluoro-4-[1-(2-hydroxy-2-phenylsulfanylacetyl)-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

543.12756 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.13484 222.5
[M+Na]+ 566.11678 228.0
[M-H]- 542.12028 232.6
[M+NH4]+ 561.16138 223.4
[M+K]+ 582.09072 224.9
[M+H-H2O]+ 526.12482 211.9
[M+HCOO]- 588.12576 228.7
[M+CH3COO]- 602.14141 228.5
[M+Na-2H]- 564.10223 213.5
[M]+ 543.12701 223.9
[M]- 543.12811 223.9
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.