CID 3006443

Ethanethioamide, n-[[(5s)-3-[3-fluoro-4-(methylthioformylamino)phenyl]-2-oxo-5-oxazolidinyl]methyl]-

Structural Information

Molecular Formula
C14H16FN3O2S2
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N(C)C=S)F
InChI
InChI=1S/C14H16FN3O2S2/c1-9(22)16-6-11-7-18(14(19)20-11)10-3-4-13(12(15)5-10)17(2)8-21/h3-5,8,11H,6-7H2,1-2H3,(H,16,22)/t11-/m0/s1
InChIKey
QONXEXVRJFYNNE-NSHDSACASA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[methanethioyl(methyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

341.0668 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07408 176.3
[M+Na]+ 364.05602 183.7
[M-H]- 340.05952 182.2
[M+NH4]+ 359.10062 190.0
[M+K]+ 380.02996 179.2
[M+H-H2O]+ 324.06406 168.3
[M+HCOO]- 386.06500 187.0
[M+CH3COO]- 400.08065 215.7
[M+Na-2H]- 362.04147 172.6
[M]+ 341.06625 178.0
[M]- 341.06735 178.0
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

patents stripe