CID 497412

Schembl7082551

Structural Information

Molecular Formula
C16H13FN4O4
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=CN=C3)F)COC4=NOC=C4
InChI
InChI=1S/C16H13FN4O4/c17-13-7-11(1-2-14(13)20-5-4-18-10-20)21-8-12(25-16(21)22)9-23-15-3-6-24-19-15/h1-7,10,12H,8-9H2/t12-/m1/s1
InChIKey
KWOYNHWWWRPSFG-GFCCVEGCSA-N
Compound name
(5R)-3-(3-fluoro-4-imidazol-1-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

344.09207 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09935 170.4
[M+Na]+ 367.08129 180.6
[M-H]- 343.08479 180.0
[M+NH4]+ 362.12589 180.5
[M+K]+ 383.05523 179.1
[M+H-H2O]+ 327.08933 160.7
[M+HCOO]- 389.09027 190.2
[M+CH3COO]- 403.10592 182.3
[M+Na-2H]- 365.06674 169.2
[M]+ 344.09152 174.9
[M]- 344.09262 174.9
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.