CID 3006433

Swelxrkxlyatjy-vifpvbqesa-n

Structural Information

Molecular Formula
C13H14FN3O3S
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)N)F
InChI
InChI=1S/C13H14FN3O3S/c1-7(21)16-5-9-6-17(13(19)20-9)8-2-3-10(12(15)18)11(14)4-8/h2-4,9H,5-6H2,1H3,(H2,15,18)(H,16,21)/t9-/m0/s1
InChIKey
SWELXRKXLYATJY-VIFPVBQESA-N
Compound name
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

311.074 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08128 170.2
[M+Na]+ 334.06322 177.3
[M-H]- 310.06672 174.9
[M+NH4]+ 329.10782 183.8
[M+K]+ 350.03716 174.0
[M+H-H2O]+ 294.07126 162.1
[M+HCOO]- 356.07220 184.9
[M+CH3COO]- 370.08785 208.0
[M+Na-2H]- 332.04867 167.0
[M]+ 311.07345 169.2
[M]- 311.07455 169.2
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.