CID 467878

Chembl172459

Structural Information

Molecular Formula
C11H12Cl2N2O3
SMILES
C1=CC(=C(C2=C1N(C=N2)COC(CO)CO)Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O3/c12-8-1-2-9-11(10(8)13)14-5-15(9)6-18-7(3-16)4-17/h1-2,5,7,16-17H,3-4,6H2
InChIKey
MXMLREZWMPBYMV-UHFFFAOYSA-N
Compound name
2-[(4,5-dichlorobenzimidazol-1-yl)methoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.0225 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02978 157.2
[M+Na]+ 313.01172 168.4
[M-H]- 289.01522 156.6
[M+NH4]+ 308.05632 173.4
[M+K]+ 328.98566 162.5
[M+H-H2O]+ 273.01976 151.6
[M+HCOO]- 335.02070 167.4
[M+CH3COO]- 349.03635 193.5
[M+Na-2H]- 310.99717 160.6
[M]+ 290.02195 163.8
[M]- 290.02305 163.8
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.