CID 6475974

Vrc322

Structural Information

Molecular Formula
C23H23F2N3O4
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)/C=C/C4=CC=C(C=C4)F)F
InChI
InChI=1S/C23H23F2N3O4/c24-17-4-1-16(2-5-17)3-8-22(29)26-14-19-15-28(23(30)32-19)18-6-7-21(20(25)13-18)27-9-11-31-12-10-27/h1-8,13,19H,9-12,14-15H2,(H,26,29)/b8-3+/t19-/m0/s1
InChIKey
VIMUVKKYTMGPFM-FOZGUINQSA-N
Compound name
(E)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.16565 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.17293 207.7
[M+Na]+ 466.15487 212.0
[M-H]- 442.15837 215.5
[M+NH4]+ 461.19947 211.8
[M+K]+ 482.12881 207.7
[M+H-H2O]+ 426.16291 194.6
[M+HCOO]- 488.16385 219.7
[M+CH3COO]- 502.17950 230.6
[M+Na-2H]- 464.14032 203.4
[M]+ 443.16510 202.6
[M]- 443.16620 202.6
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.