CID 25495

Nicofuranose

Structural Information

Molecular Formula
C30H24N4O10
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

compound 2d structure
4
Annotation Hits

9
References

1664
Patents

600.14923 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.15651 229.4
[M+Na]+ 623.13845 240.5
[M+NH4]+ 618.18305 230.6
[M+K]+ 639.11239 238.6
[M-H]- 599.14195 233.6
[M+Na-2H]- 621.12390 238.1
[M]+ 600.14868 231.8
[M]- 600.14978 231.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe