CID 497423

Schembl7081871

Structural Information

Molecular Formula
C18H20FN3O5
SMILES
C1CN(CCC1O)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NOC=C4)F
InChI
InChI=1S/C18H20FN3O5/c19-15-9-12(1-2-16(15)21-6-3-13(23)4-7-21)22-10-14(27-18(22)24)11-25-17-5-8-26-20-17/h1-2,5,8-9,13-14,23H,3-4,6-7,10-11H2/t14-/m1/s1
InChIKey
PMROSMZOGRDBJW-CQSZACIVSA-N
Compound name
(5R)-3-[3-fluoro-4-(4-hydroxypiperidin-1-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

5
Patents

377.1387 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14598 184.7
[M+Na]+ 400.12792 190.7
[M-H]- 376.13142 192.4
[M+NH4]+ 395.17252 192.0
[M+K]+ 416.10186 188.7
[M+H-H2O]+ 360.13596 174.4
[M+HCOO]- 422.13690 197.4
[M+CH3COO]- 436.15255 193.5
[M+Na-2H]- 398.11337 181.0
[M]+ 377.13815 182.9
[M]- 377.13925 182.9
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

patents stripe