CID 485774

Vrc319

Structural Information

Molecular Formula
C22H23BrFN3O4
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CC4=CC(=CC=C4)Br)F
InChI
InChI=1S/C22H23BrFN3O4/c23-16-3-1-2-15(10-16)11-21(28)25-13-18-14-27(22(29)31-18)17-4-5-20(19(24)12-17)26-6-8-30-9-7-26/h1-5,10,12,18H,6-9,11,13-14H2,(H,25,28)/t18-/m0/s1
InChIKey
QVJXSXUWYKSOTC-SFHVURJKSA-N
Compound name
2-(3-bromophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.0856 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.09288 212.7
[M+Na]+ 514.07482 219.0
[M-H]- 490.07832 223.8
[M+NH4]+ 509.11942 219.3
[M+K]+ 530.04876 209.0
[M+H-H2O]+ 474.08286 207.6
[M+HCOO]- 536.08380 223.8
[M+CH3COO]- 550.09945 221.1
[M+Na-2H]- 512.06027 210.3
[M]+ 491.08505 227.7
[M]- 491.08615 227.7
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.