CID 485642

Vrc3471

Structural Information

Molecular Formula
C13H16FN3O5S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NS(=O)(=O)C)F
InChI
InChI=1S/C13H16FN3O5S/c1-8(18)15-6-10-7-17(13(19)22-10)9-3-4-12(11(14)5-9)16-23(2,20)21/h3-5,10,16H,6-7H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKey
UONWZXSBKLUULG-JTQLQIEISA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(methanesulfonamido)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

345.07947 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08675 175.1
[M+Na]+ 368.06869 182.4
[M-H]- 344.07219 180.4
[M+NH4]+ 363.11329 187.4
[M+K]+ 384.04263 180.1
[M+H-H2O]+ 328.07673 167.3
[M+HCOO]- 390.07767 190.5
[M+CH3COO]- 404.09332 211.9
[M+Na-2H]- 366.05414 175.7
[M]+ 345.07892 177.3
[M]- 345.08002 177.3
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