CID 476966

3-{4-[(s)-5-(acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl}-[1,2,4]oxadiazole-5-carboxylic acid methyl ester

Structural Information

Molecular Formula
C16H15FN4O6
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NOC(=N3)C(=O)OC)F
InChI
InChI=1S/C16H15FN4O6/c1-8(22)18-6-10-7-21(16(24)26-10)9-3-4-11(12(17)5-9)13-19-14(27-20-13)15(23)25-2/h3-5,10H,6-7H2,1-2H3,(H,18,22)/t10-/m0/s1
InChIKey
CHFMALCDZZKYPQ-JTQLQIEISA-N
Compound name
methyl 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.09756 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10484 183.5
[M+Na]+ 401.08678 191.3
[M-H]- 377.09028 190.8
[M+NH4]+ 396.13138 191.6
[M+K]+ 417.06072 191.0
[M+H-H2O]+ 361.09482 174.0
[M+HCOO]- 423.09576 201.0
[M+CH3COO]- 437.11141 218.1
[M+Na-2H]- 399.07223 181.2
[M]+ 378.09701 187.5
[M]- 378.09811 187.5
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.