CID 516040

6-chloro-2-methoxy-1-(.beta.-d-ribofuranosyl)benzimidazole

Structural Information

Molecular Formula
C13H15ClN2O5
SMILES
COC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C=C(C=C2)Cl
InChI
InChI=1S/C13H15ClN2O5/c1-20-13-15-7-3-2-6(14)4-8(7)16(13)12-11(19)10(18)9(5-17)21-12/h2-4,9-12,17-19H,5H2,1H3/t9-,10-,11-,12-/m1/s1
InChIKey
YOEIUHOKZLEDCJ-DDHJBXDOSA-N
Compound name
(2R,3R,4S,5R)-2-(6-chloro-2-methoxybenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.06696 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07424 166.9
[M+Na]+ 337.05618 178.1
[M-H]- 313.05968 170.4
[M+NH4]+ 332.10078 181.8
[M+K]+ 353.03012 174.2
[M+H-H2O]+ 297.06422 161.5
[M+HCOO]- 359.06516 179.6
[M+CH3COO]- 373.08081 197.1
[M+Na-2H]- 335.04163 167.1
[M]+ 314.06641 172.4
[M]- 314.06751 172.4
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.