CID 485721

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

Structural Information

Molecular Formula
C22H24FN3O5S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)C4=CC=CS4)F
InChI
InChI=1S/C22H24FN3O5S/c1-14(27)24-12-17-13-26(22(29)31-17)15-4-5-19(18(23)11-15)30-16-6-8-25(9-7-16)21(28)20-3-2-10-32-20/h2-5,10-11,16-17H,6-9,12-13H2,1H3,(H,24,27)/t17-/m0/s1
InChIKey
MQVOQWPLGYSBEF-KRWDZBQOSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

461.14206 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.14934 207.2
[M+Na]+ 484.13128 211.3
[M-H]- 460.13478 216.7
[M+NH4]+ 479.17588 214.8
[M+K]+ 500.10522 208.3
[M+H-H2O]+ 444.13932 198.1
[M+HCOO]- 506.14026 217.5
[M+CH3COO]- 520.15591 230.9
[M+Na-2H]- 482.11673 199.4
[M]+ 461.14151 206.9
[M]- 461.14261 206.9
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.