PubChemLite - Nicofuranose (C30H24N4O10)

Structural Information

Molecular Formula

SMILES

C1=CC(=CN=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@](O2)(COC(=O)C3=CN=CC=C3)O)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1

InChIKey

FUWFSXZKBMCSKF-ZASNTINBSA-N

Compound name

[(2R,3R,4S,5R)-5-hydroxy-3,4-bis(pyridine-3-carbonyloxy)-5-(pyridine-3-carbonyloxymethyl)oxolan-2-yl]methyl pyridine-3-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]+	601.15651	227.9
[M+Na]+	623.13845	228.9
[M-H]-	599.14195	237.5
[M+NH4]+	618.18305	223.5
[M+K]+	639.11239	229.3
[M+H-H2O]+	583.14649	213.6
[M+HCOO]-	645.14743	238.5
[M+CH3COO]-	659.16308	249.4
[M+Na-2H]-	621.12390	227.2
[M]+	600.14868	232.2
[M]-	600.14978	232.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

601.15651

227.9

[M+Na]+

623.13845

228.9

[M-H]-

599.14195

237.5

[M+NH4]+

618.18305

223.5

[M+K]+

639.11239

229.3

[M+H-H2O]+

583.14649

213.6

[M+HCOO]-

645.14743

238.5

[M+CH3COO]-

659.16308

249.4

[M+Na-2H]-

621.12390

227.2

[M]+

600.14868

232.2

[M]-

600.14978

232.2

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

Nicofuranose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe