CID 114531688

2-{1-[2-(1-methyl-1h-imidazol-2-yl)ethyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C15H19N5
SMILES
CN1C=CN=C1CCN2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C15H19N5/c1-19-11-9-17-14(19)7-10-20-13-5-3-2-4-12(13)18-15(20)6-8-16/h2-5,9,11H,6-8,10,16H2,1H3
InChIKey
GAHGYGQLMSHYFX-UHFFFAOYSA-N
Compound name
2-[1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

269.16403 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.171306 162.8
[M+Na]+ 292.153248 173.2
[M-H]- 268.156754 166.0
[M+NH4]+ 287.197853 178.4
[M+K]+ 308.127188 167.7
[M+H-H2O]+ 252.161290 153.1
[M+HCOO]- 314.162231 184.9
[M+CH3COO]- 328.177881 174.6
[M+Na-2H]- 290.138696 166.0
[M]+ 269.16348142 165.8
[M]- 269.16457858 165.8
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.