PubChemLite - Methyl 4-(4-{(5s)-5-[(acetylamino)methyl]-2-oxo(1,3-oxazolidin-3-yl)}-2-fluorophenoxy)piperidinecarboxylate (C19H24FN3O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H24FN3O6/c1-12(24)21-10-15-11-23(19(26)29-15)13-3-4-17(16(20)9-13)28-14-5-7-22(8-6-14)18(25)27-2/h3-4,9,14-15H,5-8,10-11H2,1-2H3,(H,21,24)/t15-/m0/s1

InChIKey

YIBPCUUOVHJITG-HNNXBMFYSA-N

Compound name

methyl 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidine-1-carboxylate

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]+	410.17220	194.6
[M+Na]+	432.15414	198.5
[M-H]-	408.15764	200.5
[M+NH4]+	427.19874	202.1
[M+K]+	448.12808	197.3
[M+H-H2O]+	392.16218	184.0
[M+HCOO]-	454.16312	208.3
[M+CH3COO]-	468.17877	224.4
[M+Na-2H]-	430.13959	190.4
[M]+	409.16437	193.5
[M]-	409.16547	193.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

410.17220

194.6

[M+Na]+

432.15414

198.5

[M-H]-

408.15764

200.5

[M+NH4]+

427.19874

202.1

[M+K]+

448.12808

197.3

[M+H-H2O]+

392.16218

184.0

[M+HCOO]-

454.16312

208.3

[M+CH3COO]-

468.17877

224.4

[M+Na-2H]-

430.13959

190.4

[M]+

409.16437

193.5

[M]-

409.16547

193.5

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

Methyl 4-(4-{(5s)-5-[(acetylamino)methyl]-2-oxo(1,3-oxazolidin-3-yl)}-2-fluorophenoxy)piperidinecarboxylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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