PubChemLite - N-[((5s)-3-{3-fluoro-4-[1-(2-methoxyacetyl)(4-piperidyloxy)]phenyl}-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide (C20H26FN3O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H26FN3O6/c1-13(25)22-10-16-11-24(20(27)30-16)14-3-4-18(17(21)9-14)29-15-5-7-23(8-6-15)19(26)12-28-2/h3-4,9,15-16H,5-8,10-12H2,1-2H3,(H,22,25)/t16-/m0/s1

InChIKey

XPTPUDDBSGCKSA-INIZCTEOSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[1-(2-methoxyacetyl)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]+	424.18785	198.7
[M+Na]+	446.16979	202.0
[M-H]-	422.17329	204.3
[M+NH4]+	441.21439	205.4
[M+K]+	462.14373	200.6
[M+H-H2O]+	406.17783	187.9
[M+HCOO]-	468.17877	212.0
[M+CH3COO]-	482.19442	228.0
[M+Na-2H]-	444.15524	194.0
[M]+	423.18002	197.9
[M]-	423.18112	197.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

424.18785

198.7

[M+Na]+

446.16979

202.0

[M-H]-

422.17329

204.3

[M+NH4]+

441.21439

205.4

[M+K]+

462.14373

200.6

[M+H-H2O]+

406.17783

187.9

[M+HCOO]-

468.17877

212.0

[M+CH3COO]-

482.19442

228.0

[M+Na-2H]-

444.15524

194.0

[M]+

423.18002

197.9

[M]-

423.18112

197.9

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-(2-methoxyacetyl)(4-piperidyloxy)]phenyl}-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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