CID 491948

2-[[5,6-dichloro-2-[2-(2-pyridyl)ethyl]benzimidazol-1-yl]methoxy]ethanol

Structural Information

Molecular Formula
C17H17Cl2N3O2
SMILES
C1=CC=NC(=C1)CCC2=NC3=CC(=C(C=C3N2COCCO)Cl)Cl
InChI
InChI=1S/C17H17Cl2N3O2/c18-13-9-15-16(10-14(13)19)22(11-24-8-7-23)17(21-15)5-4-12-3-1-2-6-20-12/h1-3,6,9-10,23H,4-5,7-8,11H2
InChIKey
MUJFLCYZTURHEC-UHFFFAOYSA-N
Compound name
2-[[5,6-dichloro-2-(2-pyridin-2-ylethyl)benzimidazol-1-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.0698 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07708 181.1
[M+Na]+ 388.05902 192.5
[M-H]- 364.06252 183.1
[M+NH4]+ 383.10362 193.4
[M+K]+ 404.03296 184.5
[M+H-H2O]+ 348.06706 171.8
[M+HCOO]- 410.06800 191.2
[M+CH3COO]- 424.08365 191.1
[M+Na-2H]- 386.04447 184.0
[M]+ 365.06925 189.1
[M]- 365.07035 189.1
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.