CID 485658

Vrc3678

Structural Information

Molecular Formula
C21H18FN3O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)F
InChI
InChI=1S/C21H18FN3O5/c1-12(26)23-10-15-11-25(21(28)29-15)14-6-7-17(16(22)9-14)24-20(27)19-8-13-4-2-3-5-18(13)30-19/h2-9,15H,10-11H2,1H3,(H,23,26)(H,24,27)/t15-/m0/s1
InChIKey
DHNKTMBNMVVSDB-HNNXBMFYSA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.12305 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13033 195.0
[M+Na]+ 434.11227 202.3
[M-H]- 410.11577 205.6
[M+NH4]+ 429.15687 205.1
[M+K]+ 450.08621 200.3
[M+H-H2O]+ 394.12031 186.2
[M+HCOO]- 456.12125 215.3
[M+CH3COO]- 470.13690 227.9
[M+Na-2H]- 432.09772 194.5
[M]+ 411.12250 198.0
[M]- 411.12360 198.0
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.