CID 3006434

Twrsxtcqiwwjos-jtqlqieisa-n

Structural Information

Molecular Formula
C14H16FN3O3S
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NC)F
InChI
InChI=1S/C14H16FN3O3S/c1-8(22)17-6-10-7-18(14(20)21-10)9-3-4-11(12(15)5-9)13(19)16-2/h3-5,10H,6-7H2,1-2H3,(H,16,19)(H,17,22)/t10-/m0/s1
InChIKey
TWRSXTCQIWWJOS-JTQLQIEISA-N
Compound name
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

325.08963 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09691 174.5
[M+Na]+ 348.07885 181.3
[M-H]- 324.08235 179.6
[M+NH4]+ 343.12345 187.9
[M+K]+ 364.05279 178.1
[M+H-H2O]+ 308.08689 166.2
[M+HCOO]- 370.08783 189.5
[M+CH3COO]- 384.10348 210.8
[M+Na-2H]- 346.06430 171.8
[M]+ 325.08908 174.8
[M]- 325.09018 174.8
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.