CID 497404

Schembl7081835

Structural Information

Molecular Formula
C17H18FN3O5
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NOC=C4)F
InChI
InChI=1S/C17H18FN3O5/c18-14-9-12(1-2-15(14)20-4-7-23-8-5-20)21-10-13(26-17(21)22)11-24-16-3-6-25-19-16/h1-3,6,9,13H,4-5,7-8,10-11H2/t13-/m1/s1
InChIKey
FQNHEVCCOYGYJD-CYBMUJFWSA-N
Compound name
(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.12305 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13033 180.4
[M+Na]+ 386.11227 186.7
[M-H]- 362.11577 189.6
[M+NH4]+ 381.15687 187.3
[M+K]+ 402.08621 186.4
[M+H-H2O]+ 346.12031 170.2
[M+HCOO]- 408.12125 193.9
[M+CH3COO]- 422.13690 190.0
[M+Na-2H]- 384.09772 178.3
[M]+ 363.12250 180.1
[M]- 363.12360 180.1
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

patents stripe