CID 485719

Benzyl n-[2-[4-[4-[(5s)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenoxy]-1-piperidyl]-2-oxo-ethyl]carbamate

Structural Information

Molecular Formula
C27H31FN4O7
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)CNC(=O)OCC4=CC=CC=C4)F
InChI
InChI=1S/C27H31FN4O7/c1-18(33)29-14-22-16-32(27(36)39-22)20-7-8-24(23(28)13-20)38-21-9-11-31(12-10-21)25(34)15-30-26(35)37-17-19-5-3-2-4-6-19/h2-8,13,21-22H,9-12,14-17H2,1H3,(H,29,33)(H,30,35)/t22-/m0/s1
InChIKey
OFCPSRQRTMLGAF-QFIPXVFZSA-N
Compound name
benzyl N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

542.21765 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.22493 226.1
[M+Na]+ 565.20687 225.9
[M-H]- 541.21037 234.2
[M+NH4]+ 560.25147 226.6
[M+K]+ 581.18081 224.2
[M+H-H2O]+ 525.21491 213.2
[M+HCOO]- 587.21585 238.5
[M+CH3COO]- 601.23150 251.5
[M+Na-2H]- 563.19232 220.4
[M]+ 542.21710 224.3
[M]- 542.21820 224.3
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

patents stripe