CID 485778

Vrc-332

Structural Information

Molecular Formula
C23H24Cl2FN3O5
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CCOC4=C(C=C(C=C4)Cl)Cl)F
InChI
InChI=1S/C23H24Cl2FN3O5/c24-15-1-4-21(18(25)11-15)33-8-5-22(30)27-13-17-14-29(23(31)34-17)16-2-3-20(19(26)12-16)28-6-9-32-10-7-28/h1-4,11-12,17H,5-10,13-14H2,(H,27,30)/t17-/m0/s1
InChIKey
QLMUZSLBFZSJFX-KRWDZBQOSA-N
Compound name
3-(2,4-dichlorophenoxy)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.1077 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.11498 220.5
[M+Na]+ 534.09692 225.8
[M-H]- 510.10042 229.0
[M+NH4]+ 529.14152 223.7
[M+K]+ 550.07086 221.5
[M+H-H2O]+ 494.10496 208.9
[M+HCOO]- 556.10590 223.8
[M+CH3COO]- 570.12155 239.6
[M+Na-2H]- 532.08237 215.2
[M]+ 511.10715 222.9
[M]- 511.10825 222.9
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.