CID 467868

Chembl353687

Structural Information

Molecular Formula
C13H17Cl2N3O3
SMILES
CN(C)C1=NC2=CC(=C(C=C2N1COC(CO)CO)Cl)Cl
InChI
InChI=1S/C13H17Cl2N3O3/c1-17(2)13-16-11-3-9(14)10(15)4-12(11)18(13)7-21-8(5-19)6-20/h3-4,8,19-20H,5-7H2,1-2H3
InChIKey
GTQFQDMZLWZMCJ-UHFFFAOYSA-N
Compound name
2-[[5,6-dichloro-2-(dimethylamino)benzimidazol-1-yl]methoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.0647 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.07198 170.6
[M+Na]+ 356.05392 180.9
[M-H]- 332.05742 171.5
[M+NH4]+ 351.09852 185.7
[M+K]+ 372.02786 176.0
[M+H-H2O]+ 316.06196 164.5
[M+HCOO]- 378.06290 181.7
[M+CH3COO]- 392.07855 208.8
[M+Na-2H]- 354.03937 172.1
[M]+ 333.06415 178.9
[M]- 333.06525 178.9
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.