PubChemLite - N-({(5s)-3-[3-fluoro-4-(1-{2-[(methylsulfonyl)amino]acetyl}(4-piperidyloxy))phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide (C20H27FN4O7S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H27FN4O7S/c1-13(26)22-10-16-12-25(20(28)32-16)14-3-4-18(17(21)9-14)31-15-5-7-24(8-6-15)19(27)11-23-33(2,29)30/h3-4,9,15-16,23H,5-8,10-12H2,1-2H3,(H,22,26)/t16-/m0/s1

InChIKey

JNNDTJRSPPJDGA-INIZCTEOSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[1-[2-(methanesulfonamido)acetyl]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]+	487.16573	209.6
[M+Na]+	509.14767	212.1
[M-H]-	485.15117	215.1
[M+NH4]+	504.19227	213.8
[M+K]+	525.12161	210.3
[M+H-H2O]+	469.15571	200.1
[M+HCOO]-	531.15665	218.1
[M+CH3COO]-	545.17230	238.6
[M+Na-2H]-	507.13312	206.5
[M]+	486.15790	210.0
[M]-	486.15900	210.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.16573

209.6

[M+Na]+

509.14767

212.1

[M-H]-

485.15117

215.1

[M+NH4]+

504.19227

213.8

[M+K]+

525.12161

210.3

[M+H-H2O]+

469.15571

200.1

[M+HCOO]-

531.15665

218.1

[M+CH3COO]-

545.17230

238.6

[M+Na-2H]-

507.13312

206.5

[M]+

486.15790

210.0

[M]-

486.15900

210.0

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-[(methylsulfonyl)amino]acetyl}(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