CID 485757

Vrc3116

Structural Information

Molecular Formula
C13H15FN2O3S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)SC)F
InChI
InChI=1S/C13H15FN2O3S/c1-8(17)15-6-10-7-16(13(18)19-10)9-3-4-12(20-2)11(14)5-9/h3-5,10H,6-7H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKey
ZFLFIDUMDLVWDR-JTQLQIEISA-N
Compound name
N-[[(5S)-3-(3-fluoro-4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

298.07874 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08602 166.0
[M+Na]+ 321.06796 174.2
[M-H]- 297.07146 171.3
[M+NH4]+ 316.11256 181.1
[M+K]+ 337.04190 171.4
[M+H-H2O]+ 281.07600 158.2
[M+HCOO]- 343.07694 181.3
[M+CH3COO]- 357.09259 203.0
[M+Na-2H]- 319.05341 164.2
[M]+ 298.07819 168.1
[M]- 298.07929 168.1
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