CID 476969

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

Structural Information

Molecular Formula
C17H17FN4O5S
SMILES
CCOC(=O)C1=NC(=NS1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C)F
InChI
InChI=1S/C17H17FN4O5S/c1-3-26-16(24)15-20-14(21-28-15)12-5-4-10(6-13(12)18)22-8-11(27-17(22)25)7-19-9(2)23/h4-6,11H,3,7-8H2,1-2H3,(H,19,23)/t11-/m0/s1
InChIKey
DZPZUZWYUAJKHN-NSHDSACASA-N
Compound name
ethyl 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-thiadiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.09036 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09764 192.3
[M+Na]+ 431.07958 200.2
[M-H]- 407.08308 199.0
[M+NH4]+ 426.12418 201.5
[M+K]+ 447.05352 197.7
[M+H-H2O]+ 391.08762 183.5
[M+HCOO]- 453.08856 205.7
[M+CH3COO]- 467.10421 221.6
[M+Na-2H]- 429.06503 187.0
[M]+ 408.08981 197.2
[M]- 408.09091 197.2
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.