CID 497375

Chembl133943

Structural Information

Molecular Formula
C21H20FNO4
SMILES
C1COCC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=CC=CC=C4)F
InChI
InChI=1S/C21H20FNO4/c22-20-12-16(6-7-19(20)15-8-10-25-11-9-15)23-13-18(27-21(23)24)14-26-17-4-2-1-3-5-17/h1-8,12,18H,9-11,13-14H2/t18-/m1/s1
InChIKey
ADPSFOQJJBSKGM-GOSISDBHSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.13763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14491 186.4
[M+Na]+ 392.12685 192.3
[M-H]- 368.13035 197.3
[M+NH4]+ 387.17145 195.4
[M+K]+ 408.10079 189.7
[M+H-H2O]+ 352.13489 175.5
[M+HCOO]- 414.13583 202.6
[M+CH3COO]- 428.15148 196.1
[M+Na-2H]- 390.11230 186.1
[M]+ 369.13708 184.8
[M]- 369.13818 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.