CID 497427

N-[(3s)-1-(2-fluoro-4-{(5r)-2-oxo-5-[(1,2,5-thiadiazol-3-yloxy)methyl]-1,3-oxazolidin-3-yl}phenyl)-3-pyrrolidinyl]methanesulfonamide

Structural Information

Molecular Formula
C17H20FN5O5S2
SMILES
CS(=O)(=O)N[C@H]1CCN(C1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NSN=C4)F
InChI
InChI=1S/C17H20FN5O5S2/c1-30(25,26)21-11-4-5-22(8-11)15-3-2-12(6-14(15)18)23-9-13(28-17(23)24)10-27-16-7-19-29-20-16/h2-3,6-7,11,13,21H,4-5,8-10H2,1H3/t11-,13+/m0/s1
InChIKey
MTUCZKPBBMGMFE-WCQYABFASA-N
Compound name
N-[(3S)-1-[2-fluoro-4-[(5R)-2-oxo-5-(1,2,5-thiadiazol-3-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]pyrrolidin-3-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.089 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.09628 200.4
[M+Na]+ 480.07822 209.0
[M-H]- 456.08172 209.2
[M+NH4]+ 475.12282 208.7
[M+K]+ 496.05216 206.1
[M+H-H2O]+ 440.08626 194.2
[M+HCOO]- 502.08720 208.4
[M+CH3COO]- 516.10285 209.0
[M+Na-2H]- 478.06367 195.0
[M]+ 457.08845 204.0
[M]- 457.08955 204.0
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.