CID 492200

5-(5,6-dichloro-2-methoxy-benzoimidazol-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol

Structural Information

Molecular Formula
C13H14Cl2N2O4
SMILES
COC1=NC2=CC(=C(C=C2N1[C@H]3C[C@@H]([C@H](O3)CO)O)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2O4/c1-20-13-16-8-2-6(14)7(15)3-9(8)17(13)12-4-10(19)11(5-18)21-12/h2-3,10-12,18-19H,4-5H2,1H3/t10-,11+,12+/m0/s1
InChIKey
SLTUPRXKUJHDQH-QJPTWQEYSA-N
Compound name
(2R,3S,5R)-5-(5,6-dichloro-2-methoxybenzimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.03305 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04033 171.2
[M+Na]+ 355.02227 183.3
[M-H]- 331.02577 175.1
[M+NH4]+ 350.06687 186.5
[M+K]+ 370.99621 178.4
[M+H-H2O]+ 315.03031 165.8
[M+HCOO]- 377.03125 180.0
[M+CH3COO]- 391.04690 182.7
[M+Na-2H]- 353.00772 170.6
[M]+ 332.03250 177.8
[M]- 332.03360 177.8
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

No patent data available for this compound.