CID 485744

Vrc3120

Structural Information

Molecular Formula
C14H16FN3O4S
SMILES
CSCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)N)F
InChI
InChI=1S/C14H16FN3O4S/c1-23-7-12(19)17-5-9-6-18(14(21)22-9)8-2-3-10(13(16)20)11(15)4-8/h2-4,9H,5-7H2,1H3,(H2,16,20)(H,17,19)/t9-/m0/s1
InChIKey
WHHXKOSARFSNHX-VIFPVBQESA-N
Compound name
2-fluoro-4-[(5S)-5-[[(2-methylsulfanylacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.08456 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09184 177.1
[M+Na]+ 364.07378 183.5
[M-H]- 340.07728 181.5
[M+NH4]+ 359.11838 189.3
[M+K]+ 380.04772 180.6
[M+H-H2O]+ 324.08182 168.6
[M+HCOO]- 386.08276 191.7
[M+CH3COO]- 400.09841 213.2
[M+Na-2H]- 362.05923 173.7
[M]+ 341.08401 177.9
[M]- 341.08511 177.9
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.