CID 497394

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

Structural Information

Molecular Formula
C20H20F2N4O7S2
SMILES
CS(=O)(=O)C(C(=O)N1CCC(=CC1)C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NSN=C4)F)O
InChI
InChI=1S/C20H20F2N4O7S2/c1-35(30,31)19(28)18(27)25-4-2-11(3-5-25)17-14(21)6-12(7-15(17)22)26-9-13(33-20(26)29)10-32-16-8-23-34-24-16/h2,6-8,13,19,28H,3-5,9-10H2,1H3/t13-,19?/m1/s1
InChIKey
PIDSTUSJOXVBHR-BSOCMFCZSA-N
Compound name
(5R)-3-[3,5-difluoro-4-[1-(2-hydroxy-2-methylsulfonylacetyl)-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

530.07416 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.08144 213.8
[M+Na]+ 553.06338 220.5
[M-H]- 529.06688 219.1
[M+NH4]+ 548.10798 216.2
[M+K]+ 569.03732 217.0
[M+H-H2O]+ 513.07142 206.1
[M+HCOO]- 575.07236 214.7
[M+CH3COO]- 589.08801 235.5
[M+Na-2H]- 551.04883 207.1
[M]+ 530.07361 216.3
[M]- 530.07471 216.3
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.