CID 497392

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

Structural Information

Molecular Formula
C20H20F2N4O5S
SMILES
CC(C(=O)N1CCC(=CC1)C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NSN=C4)F)O
InChI
InChI=1S/C20H20F2N4O5S/c1-11(27)19(28)25-4-2-12(3-5-25)18-15(21)6-13(7-16(18)22)26-9-14(31-20(26)29)10-30-17-8-23-32-24-17/h2,6-8,11,14,27H,3-5,9-10H2,1H3/t11?,14-/m1/s1
InChIKey
APYBWYJGGZOKPE-SBXXRYSUSA-N
Compound name
(5R)-3-[3,5-difluoro-4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2,5-thiadiazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.11224 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.11952 203.9
[M+Na]+ 489.10146 210.9
[M-H]- 465.10496 209.5
[M+NH4]+ 484.14606 208.6
[M+K]+ 505.07540 207.1
[M+H-H2O]+ 449.10950 193.7
[M+HCOO]- 511.11044 210.1
[M+CH3COO]- 525.12609 210.9
[M+Na-2H]- 487.08691 194.9
[M]+ 466.11169 204.4
[M]- 466.11279 204.4
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.