CID 3006442

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

Structural Information

Molecular Formula
C14H16FN3O3S
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N(C)C=O)F
InChI
InChI=1S/C14H16FN3O3S/c1-9(22)16-6-11-7-18(14(20)21-11)10-3-4-13(12(15)5-10)17(2)8-19/h3-5,8,11H,6-7H2,1-2H3,(H,16,22)/t11-/m0/s1
InChIKey
BITAPGHVWPZUOE-NSHDSACASA-N
Compound name
N-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

325.08963 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09691 174.2
[M+Na]+ 348.07885 181.3
[M-H]- 324.08235 180.6
[M+NH4]+ 343.12345 188.2
[M+K]+ 364.05279 179.0
[M+H-H2O]+ 308.08689 165.6
[M+HCOO]- 370.08783 190.7
[M+CH3COO]- 384.10348 213.8
[M+Na-2H]- 346.06430 171.9
[M]+ 325.08908 176.4
[M]- 325.09018 176.4
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