CID 497414

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

Structural Information

Molecular Formula
C17H14FN5O4
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=C(N=C3)C=N)F)COC4=NOC=C4
InChI
InChI=1S/C17H14FN5O4/c18-14-5-12(1-2-15(14)22-7-11(6-19)20-10-22)23-8-13(27-17(23)24)9-25-16-3-4-26-21-16/h1-7,10,13,19H,8-9H2/t13-/m1/s1
InChIKey
IFZOFGUTVPMLIG-CYBMUJFWSA-N
Compound name
(5R)-3-[3-fluoro-4-(4-methanimidoylimidazol-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

371.103 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11028 179.0
[M+Na]+ 394.09222 188.8
[M-H]- 370.09572 188.9
[M+NH4]+ 389.13682 187.7
[M+K]+ 410.06616 186.4
[M+H-H2O]+ 354.10026 169.0
[M+HCOO]- 416.10120 199.6
[M+CH3COO]- 430.11685 190.2
[M+Na-2H]- 392.07767 177.4
[M]+ 371.10245 182.9
[M]- 371.10355 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

No patent data available for this compound.