CID 6475978

(e)-n-[[(5s)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]-3-(4-pyridyl)prop-2-enamide

Structural Information

Molecular Formula
C22H23FN4O4
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)/C=C/C4=CC=NC=C4)F
InChI
InChI=1S/C22H23FN4O4/c23-19-13-17(2-3-20(19)26-9-11-30-12-10-26)27-15-18(31-22(27)29)14-25-21(28)4-1-16-5-7-24-8-6-16/h1-8,13,18H,9-12,14-15H2,(H,25,28)/b4-1+/t18-/m0/s1
InChIKey
ITOPVPNCJPYHKI-YDZHWAMISA-N
Compound name
(E)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-pyridin-4-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.17032 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17760 203.2
[M+Na]+ 449.15954 206.8
[M-H]- 425.16304 210.7
[M+NH4]+ 444.20414 206.3
[M+K]+ 465.13348 202.9
[M+H-H2O]+ 409.16758 190.0
[M+HCOO]- 471.16852 215.2
[M+CH3COO]- 485.18417 209.6
[M+Na-2H]- 447.14499 200.5
[M]+ 426.16977 198.7
[M]- 426.17087 198.7
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.