CID 497411

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

Structural Information

Molecular Formula
C15H12FN5O4
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=CN=N3)F)COC4=NOC=C4
InChI
InChI=1S/C15H12FN5O4/c16-12-7-10(1-2-13(12)21-5-4-17-19-21)20-8-11(25-15(20)22)9-23-14-3-6-24-18-14/h1-7,11H,8-9H2/t11-/m1/s1
InChIKey
CGEWRVUKTZWTOU-LLVKDONJSA-N
Compound name
(5R)-3-[3-fluoro-4-(triazol-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

2
Patents

345.08734 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09462 169.8
[M+Na]+ 368.07656 180.4
[M-H]- 344.08006 178.3
[M+NH4]+ 363.12116 178.4
[M+K]+ 384.05050 178.8
[M+H-H2O]+ 328.08460 159.4
[M+HCOO]- 390.08554 188.5
[M+CH3COO]- 404.10119 181.3
[M+Na-2H]- 366.06201 168.6
[M]+ 345.08679 174.3
[M]- 345.08789 174.3
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