PubChemLite - Rwj 306490 (C19H24FN3O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H24FN3O6/c1-12(25)21-9-15-10-23(19(27)29-15)13-2-3-17(16(20)8-13)28-14-4-6-22(7-5-14)18(26)11-24/h2-3,8,14-15,24H,4-7,9-11H2,1H3,(H,21,25)/t15-/m0/s1

InChIKey

WNMIAFVZPGVGGG-HNNXBMFYSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[1-(2-hydroxyacetyl)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]+	410.17220	194.6
[M+Na]+	432.15414	197.9
[M-H]-	408.15764	199.1
[M+NH4]+	427.19874	201.2
[M+K]+	448.12808	195.9
[M+H-H2O]+	392.16218	184.2
[M+HCOO]-	454.16312	206.7
[M+CH3COO]-	468.17877	223.0
[M+Na-2H]-	430.13959	190.0
[M]+	409.16437	191.7
[M]-	409.16547	191.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

410.17220

194.6

[M+Na]+

432.15414

197.9

[M-H]-

408.15764

199.1

[M+NH4]+

427.19874

201.2

[M+K]+

448.12808

195.9

[M+H-H2O]+

392.16218

184.2

[M+HCOO]-

454.16312

206.7

[M+CH3COO]-

468.17877

223.0

[M+Na-2H]-

430.13959

190.0

[M]+

409.16437

191.7

[M]-

409.16547

191.7

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

Rwj 306490

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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