CID 497421

Schembl7078474

Structural Information

Molecular Formula
C16H16FN3O5
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3CC(C3)O)F)COC4=NOC=C4
InChI
InChI=1S/C16H16FN3O5/c17-13-5-10(1-2-14(13)19-6-11(21)7-19)20-8-12(25-16(20)22)9-23-15-3-4-24-18-15/h1-5,11-12,21H,6-9H2/t12-/m1/s1
InChIKey
KPEIOASIGKXSRI-GFCCVEGCSA-N
Compound name
(5R)-3-[3-fluoro-4-(3-hydroxyazetidin-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

10
Patents

349.1074 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11468 166.7
[M+Na]+ 372.09662 172.7
[M-H]- 348.10012 174.6
[M+NH4]+ 367.14122 169.3
[M+K]+ 388.07056 174.6
[M+H-H2O]+ 332.10466 152.5
[M+HCOO]- 394.10560 181.3
[M+CH3COO]- 408.12125 210.1
[M+Na-2H]- 370.08207 165.0
[M]+ 349.10685 176.4
[M]- 349.10795 176.4
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.