CID 485731

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

Structural Information

Molecular Formula
C21H24FN5O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)C4=NC=CC=N4)F
InChI
InChI=1S/C21H24FN5O4/c1-14(28)25-12-17-13-27(21(29)31-17)15-3-4-19(18(22)11-15)30-16-5-9-26(10-6-16)20-23-7-2-8-24-20/h2-4,7-8,11,16-17H,5-6,9-10,12-13H2,1H3,(H,25,28)/t17-/m0/s1
InChIKey
DWVYBQXPTWGMJJ-KRWDZBQOSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

429.18124 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18852 202.3
[M+Na]+ 452.17046 206.6
[M-H]- 428.17396 208.5
[M+NH4]+ 447.21506 205.5
[M+K]+ 468.14440 202.4
[M+H-H2O]+ 412.17850 188.5
[M+HCOO]- 474.17944 214.0
[M+CH3COO]- 488.19509 208.7
[M+Na-2H]- 450.15591 199.3
[M]+ 429.18069 198.6
[M]- 429.18179 198.6
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.