CID 485730

N-[((5s)-3-{3-fluoro-4-[1-(methylsulfonyl)(4-piperidyloxy)]phenyl}-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide

Structural Information

Molecular Formula
C18H24FN3O6S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)S(=O)(=O)C)F
InChI
InChI=1S/C18H24FN3O6S/c1-12(23)20-10-15-11-22(18(24)28-15)13-3-4-17(16(19)9-13)27-14-5-7-21(8-6-14)29(2,25)26/h3-4,9,14-15H,5-8,10-11H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKey
UPQFJBWWXJQLHZ-HNNXBMFYSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.137 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.14428 197.3
[M+Na]+ 452.12622 202.2
[M-H]- 428.12972 203.3
[M+NH4]+ 447.17082 204.6
[M+K]+ 468.10016 199.9
[M+H-H2O]+ 412.13426 188.3
[M+HCOO]- 474.13520 206.2
[M+CH3COO]- 488.15085 225.2
[M+Na-2H]- 450.11167 194.3
[M]+ 429.13645 197.8
[M]- 429.13755 197.8
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.