PubChemLite - Furaltadone (C13H16N4O6)

Structural Information

Molecular Formula

C₁₃H₁₆N₄O₆

SMILES

C1COCCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+

InChIKey

YVQVOQKFMFRVGR-VGOFMYFVSA-N

Compound name

5-(morpholin-4-ylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

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]+	325.11428	170.6
[M+Na]+	347.09622	179.6
[M+NH4]+	342.14082	175.3
[M+K]+	363.07016	183.2
[M-H]-	323.09972	177.7
[M+Na-2H]-	345.08167	172.5
[M]+	324.10645	173.2
[M]-	324.10755	173.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

325.11428

170.6

[M+Na]+

347.09622

179.6

[M+NH4]+

342.14082

175.3

[M+K]+

363.07016

183.2

[M-H]-

323.09972

177.7

[M+Na-2H]-

345.08167

172.5

[M]+

324.10645

173.2

[M]-

324.10755

173.2

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

Furaltadone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe