CID 497373

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

Structural Information

Molecular Formula
C20H20FN3O4
SMILES
C1COCC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=CN=C(C=C4)N)F
InChI
InChI=1S/C20H20FN3O4/c21-18-9-14(1-3-17(18)13-5-7-26-8-6-13)24-11-16(28-20(24)25)12-27-15-2-4-19(22)23-10-15/h1-5,9-10,16H,6-8,11-12H2,(H2,22,23)/t16-/m1/s1
InChIKey
DBTFEAVQIPEDKC-MRXNPFEDSA-N
Compound name
(5R)-5-[(6-aminopyridin-3-yl)oxymethyl]-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1438 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15108 191.4
[M+Na]+ 408.13302 197.6
[M-H]- 384.13652 200.9
[M+NH4]+ 403.17762 198.0
[M+K]+ 424.10696 194.6
[M+H-H2O]+ 368.14106 179.5
[M+HCOO]- 430.14200 206.9
[M+CH3COO]- 444.15765 200.2
[M+Na-2H]- 406.11847 190.4
[M]+ 385.14325 188.9
[M]- 385.14435 188.9
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.