CID 497386

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

Structural Information

Molecular Formula
C25H22F2N4O6S
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=N5
InChI
InChI=1S/C25H22F2N4O6S/c26-18-11-16(31-13-17(37-25(31)34)14-35-20-6-10-36-29-20)12-19(27)22(18)15-4-8-30(9-5-15)23(32)24(33)38-21-3-1-2-7-28-21/h1-4,6-7,10-12,17,24,33H,5,8-9,13-14H2/t17-,24?/m1/s1
InChIKey
TWCIJYKAZFCLML-BPNWFJGMSA-N
Compound name
(5R)-3-[3,5-difluoro-4-[1-(2-hydroxy-2-pyridin-2-ylsulfanylacetyl)-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

544.1228 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.13008 221.0
[M+Na]+ 567.11202 226.8
[M-H]- 543.11552 230.0
[M+NH4]+ 562.15662 220.5
[M+K]+ 583.08596 223.6
[M+H-H2O]+ 527.12006 209.9
[M+HCOO]- 589.12100 226.1
[M+CH3COO]- 603.13665 226.6
[M+Na-2H]- 565.09747 212.1
[M]+ 544.12225 222.4
[M]- 544.12335 222.4
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.