CID 497422

(5r)-3-[3-fluoro-4-[(3s)-3-hydroxypyrrolidin-1-yl]phenyl]-5-(isoxazol-3-yloxymethyl)oxazolidin-2-one

Structural Information

Molecular Formula
C17H18FN3O5
SMILES
C1CN(C[C@H]1O)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NOC=C4)F
InChI
InChI=1S/C17H18FN3O5/c18-14-7-11(1-2-15(14)20-5-3-12(22)8-20)21-9-13(26-17(21)23)10-24-16-4-6-25-19-16/h1-2,4,6-7,12-13,22H,3,5,8-10H2/t12-,13+/m0/s1
InChIKey
HLHGRFQABZFXIP-QWHCGFSZSA-N
Compound name
(5R)-3-[3-fluoro-4-[(3S)-3-hydroxypyrrolidin-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

0
Patents

363.12305 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13033 177.9
[M+Na]+ 386.11227 184.9
[M-H]- 362.11577 186.6
[M+NH4]+ 381.15687 187.8
[M+K]+ 402.08621 183.7
[M+H-H2O]+ 346.12031 169.4
[M+HCOO]- 408.12125 193.3
[M+CH3COO]- 422.13690 188.0
[M+Na-2H]- 384.09772 173.2
[M]+ 363.12250 178.2
[M]- 363.12360 178.2
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.