CID 467844

Chembl169492

Structural Information

Molecular Formula
C11H13Cl2N3O2
SMILES
CNC1=NC2=CC(=C(C=C2N1COCCO)Cl)Cl
InChI
InChI=1S/C11H13Cl2N3O2/c1-14-11-15-9-4-7(12)8(13)5-10(9)16(11)6-18-3-2-17/h4-5,17H,2-3,6H2,1H3,(H,14,15)
InChIKey
ACSATGDNRPXMKP-UHFFFAOYSA-N
Compound name
2-[[5,6-dichloro-2-(methylamino)benzimidazol-1-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.03848 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04576 159.9
[M+Na]+ 312.02770 171.9
[M-H]- 288.03120 160.7
[M+NH4]+ 307.07230 176.9
[M+K]+ 328.00164 165.7
[M+H-H2O]+ 272.03574 153.9
[M+HCOO]- 334.03668 173.2
[M+CH3COO]- 348.05233 199.1
[M+Na-2H]- 310.01315 164.4
[M]+ 289.03793 167.1
[M]- 289.03903 167.1
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.