CID 466039

2-oxo-5,6-dichloro-1-.beta.-d-ribofuranosylbenzimidazole

Structural Information

Molecular Formula
C12H12Cl2N2O5
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H12Cl2N2O5/c13-4-1-6-7(2-5(4)14)16(12(20)15-6)11-10(19)9(18)8(3-17)21-11/h1-2,8-11,17-19H,3H2,(H,15,20)/t8-,9-,10-,11-/m1/s1
InChIKey
VJZNJEVREWSLIB-GWOFURMSSA-N
Compound name
5,6-dichloro-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.01233 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.01961 168.9
[M+Na]+ 357.00155 181.4
[M-H]- 333.00505 170.9
[M+NH4]+ 352.04615 182.9
[M+K]+ 372.97549 175.4
[M+H-H2O]+ 317.00959 164.7
[M+HCOO]- 379.01053 175.5
[M+CH3COO]- 393.02618 179.8
[M+Na-2H]- 354.98700 167.7
[M]+ 334.01178 172.9
[M]- 334.01288 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.