CID 467850

Chembl354840

Structural Information

Molecular Formula
C12H15Cl2N3O2
SMILES
CN(C)C1=NC2=C(N1COCCO)C=C(C=C2Cl)Cl
InChI
InChI=1S/C12H15Cl2N3O2/c1-16(2)12-15-11-9(14)5-8(13)6-10(11)17(12)7-19-4-3-18/h5-6,18H,3-4,7H2,1-2H3
InChIKey
HOYSXJWGXWAIIS-UHFFFAOYSA-N
Compound name
2-[[4,6-dichloro-2-(dimethylamino)benzimidazol-1-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.05414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06142 164.5
[M+Na]+ 326.04336 176.2
[M-H]- 302.04686 166.6
[M+NH4]+ 321.08796 181.6
[M+K]+ 342.01730 171.1
[M+H-H2O]+ 286.05140 158.1
[M+HCOO]- 348.05234 178.0
[M+CH3COO]- 362.06799 205.3
[M+Na-2H]- 324.02881 167.7
[M]+ 303.05359 173.3
[M]- 303.05469 173.3
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.