PubChemLite - N-[[(5s)-3-[4-[[1-(2-acetamidoacetyl)-4-piperidyl]oxy]-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide (C21H27FN4O6)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)CNC(=O)C)F

InChI

InChI=1S/C21H27FN4O6/c1-13(27)23-10-17-12-26(21(30)32-17)15-3-4-19(18(22)9-15)31-16-5-7-25(8-6-16)20(29)11-24-14(2)28/h3-4,9,16-17H,5-8,10-12H2,1-2H3,(H,23,27)(H,24,28)/t17-/m0/s1

InChIKey

LJELBZSQFBWLOD-KRWDZBQOSA-N

Compound name

N-[[(5S)-3-[4-[1-(2-acetamidoacetyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	451.19875	205.5
[M+Na]+	473.18069	207.4
[M-H]-	449.18419	211.1
[M+NH4]+	468.22529	210.7
[M+K]+	489.15463	206.0
[M+H-H2O]+	433.18873	194.6
[M+HCOO]-	495.18967	218.7
[M+CH3COO]-	509.20532	236.1
[M+Na-2H]-	471.16614	200.1
[M]+	450.19092	203.1
[M]-	450.19202	203.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.19875

205.5

[M+Na]+

473.18069

207.4

[M-H]-

449.18419

211.1

[M+NH4]+

468.22529

210.7

[M+K]+

489.15463

206.0

[M+H-H2O]+

433.18873

194.6

[M+HCOO]-

495.18967

218.7

[M+CH3COO]-

509.20532

236.1

[M+Na-2H]-

471.16614

200.1

[M]+

450.19092

203.1

[M]-

450.19202

203.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-[[(5s)-3-[4-[[1-(2-acetamidoacetyl)-4-piperidyl]oxy]-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe