CID 478260

N-[[(5s)-3-[4-(1,1-dioxothian-4-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]prop-2-enamide

Structural Information

Molecular Formula
C18H21FN2O5S
SMILES
C=CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3CCS(=O)(=O)CC3)F
InChI
InChI=1S/C18H21FN2O5S/c1-2-17(22)20-10-14-11-21(18(23)26-14)13-3-4-15(16(19)9-13)12-5-7-27(24,25)8-6-12/h2-4,9,12,14H,1,5-8,10-11H2,(H,20,22)/t14-/m0/s1
InChIKey
FGSBPBLJUVXAPC-AWEZNQCLSA-N
Compound name
N-[[(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1155 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12278 188.3
[M+Na]+ 419.10472 194.6
[M-H]- 395.10822 195.6
[M+NH4]+ 414.14932 200.4
[M+K]+ 435.07866 190.9
[M+H-H2O]+ 379.11276 180.4
[M+HCOO]- 441.11370 200.0
[M+CH3COO]- 455.12935 218.6
[M+Na-2H]- 417.09017 185.4
[M]+ 396.11495 187.2
[M]- 396.11605 187.2
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.