CID 497397

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

Structural Information

Molecular Formula
C22H23F2N3O9S
SMILES
C1CN(CC=C1C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NOC=C4)F)C(=O)C(O)S(=O)(=O)CCO
InChI
InChI=1S/C22H23F2N3O9S/c23-16-9-14(27-11-15(36-22(27)31)12-34-18-3-7-35-25-18)10-17(24)19(16)13-1-4-26(5-2-13)20(29)21(30)37(32,33)8-6-28/h1,3,7,9-10,15,21,28,30H,2,4-6,8,11-12H2/t15-,21?/m1/s1
InChIKey
XHRNLXXGHMTLNL-RBFZIWAESA-N
Compound name
(5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-2-(2-hydroxyethylsulfonyl)acetyl]-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

543.1123 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.11958 216.8
[M+Na]+ 566.10152 221.4
[M-H]- 542.10502 222.9
[M+NH4]+ 561.14612 217.1
[M+K]+ 582.07546 220.6
[M+H-H2O]+ 526.10956 208.4
[M+HCOO]- 588.11050 220.7
[M+CH3COO]- 602.12615 238.3
[M+Na-2H]- 564.08697 210.7
[M]+ 543.11175 219.8
[M]- 543.11285 219.8
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.