CID 497413

Schembl7081053

Structural Information

Molecular Formula
C17H15FN4O4
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NOC=C4)F
InChI
InChI=1S/C17H15FN4O4/c1-11-7-21(10-19-11)15-3-2-12(6-14(15)18)22-8-13(26-17(22)23)9-24-16-4-5-25-20-16/h2-7,10,13H,8-9H2,1H3/t13-/m1/s1
InChIKey
WTCHOFHIORKTLL-CYBMUJFWSA-N
Compound name
(5R)-3-[3-fluoro-4-(4-methylimidazol-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

5
Patents

358.10773 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11501 175.8
[M+Na]+ 381.09695 186.5
[M-H]- 357.10045 185.7
[M+NH4]+ 376.14155 185.6
[M+K]+ 397.07089 184.7
[M+H-H2O]+ 341.10499 166.3
[M+HCOO]- 403.10593 195.3
[M+CH3COO]- 417.12158 187.6
[M+Na-2H]- 379.08240 173.4
[M]+ 358.10718 181.0
[M]- 358.10828 181.0
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.