CID 497389

(5r)-3-[4-(3,6-dihydro-2h-pyran-4-yl)-3-fluoro-phenyl]-5-[(5-methyl-4h-pyrazol-3-yl)oxymethyl]oxazolidin-2-one

Structural Information

Molecular Formula
C19H20FN3O4
SMILES
CC1=NN=C(C1)OC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)C4=CCOCC4)F
InChI
InChI=1S/C19H20FN3O4/c1-12-8-18(22-21-12)26-11-15-10-23(19(24)27-15)14-2-3-16(17(20)9-14)13-4-6-25-7-5-13/h2-4,9,15H,5-8,10-11H2,1H3/t15-/m1/s1
InChIKey
HMKRAFYMAAOEIS-OAHLLOKOSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-[(5-methyl-4H-pyrazol-3-yl)oxymethyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1438 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15108 186.0
[M+Na]+ 396.13302 193.4
[M-H]- 372.13652 195.2
[M+NH4]+ 391.17762 194.4
[M+K]+ 412.10696 191.0
[M+H-H2O]+ 356.14106 175.3
[M+HCOO]- 418.14200 201.1
[M+CH3COO]- 432.15765 195.7
[M+Na-2H]- 394.11847 182.7
[M]+ 373.14325 186.1
[M]- 373.14435 186.1
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.