CID 6482312

(s)-n-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-(4-(1,1-dimethylethyl)phenyl)-4-oxobutanamide

Structural Information

Molecular Formula
C28H34FN3O5
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCOCC4)F
InChI
InChI=1S/C28H34FN3O5/c1-28(2,3)20-6-4-19(5-7-20)25(33)10-11-26(34)30-17-22-18-32(27(35)37-22)21-8-9-24(23(29)16-21)31-12-14-36-15-13-31/h4-9,16,22H,10-15,17-18H2,1-3H3,(H,30,34)/t22-/m0/s1
InChIKey
UDMDCZHMARKSQC-QFIPXVFZSA-N
Compound name
4-(4-tert-butylphenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.24826 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.25554 226.4
[M+Na]+ 534.23748 228.1
[M-H]- 510.24098 235.2
[M+NH4]+ 529.28208 227.7
[M+K]+ 550.21142 225.6
[M+H-H2O]+ 494.24552 214.5
[M+HCOO]- 556.24646 235.4
[M+CH3COO]- 570.26211 246.2
[M+Na-2H]- 532.22293 221.2
[M]+ 511.24771 224.3
[M]- 511.24881 224.3
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.