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

0
Patents

269.16403 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17131 162.8
[M+Na]+ 292.15325 173.2
[M-H]- 268.15675 166.0
[M+NH4]+ 287.19785 178.4
[M+K]+ 308.12719 167.7
[M+H-H2O]+ 252.16129 153.1
[M+HCOO]- 314.16223 184.9
[M+CH3COO]- 328.17788 174.6
[M+Na-2H]- 290.13870 166.0
[M]+ 269.16348 165.8
[M]- 269.16458 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.