CID 469861

Naptho[2,3-d]-imidazole nucleoside

Structural Information

Molecular Formula
C16H14Cl2N2O4
SMILES
C1=C2C=C(C(=CC2=CC3=C1N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2O4/c17-9-1-7-3-11-12(4-8(7)2-10(9)18)20(6-19-11)16-15(23)14(22)13(5-21)24-16/h1-4,6,13-16,21-23H,5H2/t13-,14-,15-,16-/m1/s1
InChIKey
HEBAESRDPFMSOL-KLHDSHLOSA-N
Compound name
(2R,3R,4S,5R)-2-(6,7-dichlorobenzo[f]benzimidazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.03305 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04033 180.8
[M+Na]+ 391.02227 193.4
[M-H]- 367.02577 184.6
[M+NH4]+ 386.06687 195.1
[M+K]+ 406.99621 187.0
[M+H-H2O]+ 351.03031 175.6
[M+HCOO]- 413.03125 186.9
[M+CH3COO]- 427.04690 191.3
[M+Na-2H]- 389.00772 180.2
[M]+ 368.03250 186.5
[M]- 368.03360 186.5
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

No patent data available for this compound.