CID 9575361

Vrc408

Structural Information

Molecular Formula
C24H25FN4O5
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)/C=C/C4=CC=C(C=C4)/C=N/O)F
InChI
InChI=1S/C24H25FN4O5/c25-21-13-19(6-7-22(21)28-9-11-33-12-10-28)29-16-20(34-24(29)31)15-26-23(30)8-5-17-1-3-18(4-2-17)14-27-32/h1-8,13-14,20,32H,9-12,15-16H2,(H,26,30)/b8-5+,27-14+/t20-/m0/s1
InChIKey
HWFQNHJRSVBZRM-HZUHTTFTSA-N
Compound name
(E)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[4-[(E)-hydroxyiminomethyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.1809 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.18818 213.5
[M+Na]+ 491.17012 216.4
[M-H]- 467.17362 222.5
[M+NH4]+ 486.21472 216.1
[M+K]+ 507.14406 212.7
[M+H-H2O]+ 451.17816 200.8
[M+HCOO]- 513.17910 227.6
[M+CH3COO]- 527.19475 237.4
[M+Na-2H]- 489.15557 210.5
[M]+ 468.18035 209.7
[M]- 468.18145 209.7
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.