CID 497384

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

Structural Information

Molecular Formula
C24H23F2N5O6
SMILES
C1CN(CC=C1C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NOC=C4)F)C(=O)C(CN5C=CC=N5)O
InChI
InChI=1S/C24H23F2N5O6/c25-18-10-16(31-12-17(37-24(31)34)14-35-21-4-9-36-28-21)11-19(26)22(18)15-2-7-29(8-3-15)23(33)20(32)13-30-6-1-5-27-30/h1-2,4-6,9-11,17,20,32H,3,7-8,12-14H2/t17-,20?/m1/s1
InChIKey
RGNWLWFAIRLQTI-DIAVIDTQSA-N
Compound name
(5R)-3-[3,5-difluoro-4-[1-(2-hydroxy-3-pyrazol-1-ylpropanoyl)-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

515.1616 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.16888 210.7
[M+Na]+ 538.15082 216.5
[M-H]- 514.15432 219.6
[M+NH4]+ 533.19542 211.0
[M+K]+ 554.12476 214.1
[M+H-H2O]+ 498.15886 199.0
[M+HCOO]- 560.15980 220.8
[M+CH3COO]- 574.17545 217.2
[M+Na-2H]- 536.13627 201.5
[M]+ 515.16105 212.0
[M]- 515.16215 212.0
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.