PubChemLite - N-[((5s)-3-{3-fluoro-4-[1-(isoxazol-5-ylcarbonyl)(4-piperidyloxy)]phenyl}-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide (C21H23FN4O6)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)C4=CC=NO4)F

InChI

InChI=1S/C21H23FN4O6/c1-13(27)23-11-16-12-26(21(29)31-16)14-2-3-18(17(22)10-14)30-15-5-8-25(9-6-15)20(28)19-4-7-24-32-19/h2-4,7,10,15-16H,5-6,8-9,11-12H2,1H3,(H,23,27)/t16-/m0/s1

InChIKey

DDIDGBKFKBHUMN-INIZCTEOSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-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]+	447.16744	202.1
[M+Na]+	469.14938	205.9
[M-H]-	445.15288	211.0
[M+NH4]+	464.19398	206.5
[M+K]+	485.12332	204.9
[M+H-H2O]+	429.15742	191.3
[M+HCOO]-	491.15836	214.8
[M+CH3COO]-	505.17401	230.2
[M+Na-2H]-	467.13483	196.5
[M]+	446.15961	201.1
[M]-	446.16071	201.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.16744

202.1

[M+Na]+

469.14938

205.9

[M-H]-

445.15288

211.0

[M+NH4]+

464.19398

206.5

[M+K]+

485.12332

204.9

[M+H-H2O]+

429.15742

191.3

[M+HCOO]-

491.15836

214.8

[M+CH3COO]-

505.17401

230.2

[M+Na-2H]-

467.13483

196.5

[M]+

446.15961

201.1

[M]-

446.16071

201.1

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

N-[((5s)-3-{3-fluoro-4-[1-(isoxazol-5-ylcarbonyl)(4-piperidyloxy)]phenyl}-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe