CID 6475976

Vrc-391

Structural Information

Molecular Formula
C23H23FN4O6
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-])F
InChI
InChI=1S/C23H23FN4O6/c24-20-13-18(6-7-21(20)26-9-11-33-12-10-26)27-15-19(34-23(27)30)14-25-22(29)8-3-16-1-4-17(5-2-16)28(31)32/h1-8,13,19H,9-12,14-15H2,(H,25,29)/b8-3+/t19-/m0/s1
InChIKey
VVMLDGSRRCALKX-FOZGUINQSA-N
Compound name
(E)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.16016 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.16744 211.6
[M+Na]+ 493.14938 212.7
[M-H]- 469.15288 220.5
[M+NH4]+ 488.19398 213.1
[M+K]+ 509.12332 205.5
[M+H-H2O]+ 453.15742 203.3
[M+HCOO]- 515.15836 225.3
[M+CH3COO]- 529.17401 229.5
[M+Na-2H]- 491.13483 211.2
[M]+ 470.15961 205.7
[M]- 470.16071 205.7
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.