CID 469860

2-chloro naptho[2,3-d]-imidazole nucleoside

Structural Information

Molecular Formula
C16H13Cl3N2O4
SMILES
C1=C2C=C(C(=CC2=CC3=C1N=C(N3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl)Cl)Cl
InChI
InChI=1S/C16H13Cl3N2O4/c17-8-1-6-3-10-11(4-7(6)2-9(8)18)21(16(19)20-10)15-14(24)13(23)12(5-22)25-15/h1-4,12-15,22-24H,5H2/t12-,13-,14-,15-/m1/s1
InChIKey
MLXHGDJUQQDYMN-KBUPBQIOSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,6,7-trichlorobenzo[f]benzimidazol-3-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.99408 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.00136 187.0
[M+Na]+ 424.98330 200.0
[M-H]- 400.98680 189.8
[M+NH4]+ 420.02790 200.1
[M+K]+ 440.95724 193.5
[M+H-H2O]+ 384.99134 182.2
[M+HCOO]- 446.99228 187.6
[M+CH3COO]- 461.00793 196.5
[M+Na-2H]- 422.96875 184.6
[M]+ 401.99353 193.0
[M]- 401.99463 193.0
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.