CID 165944823

2-{4-[2-(pyridin-3-yl)ethynyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine trihydrochloride

Structural Information

Molecular Formula
C16H14N4
SMILES
C1=CC(=C2C(=C1)NC(=N2)CCN)C#CC3=CN=CC=C3
InChI
InChI=1S/C16H14N4/c17-9-8-15-19-14-5-1-4-13(16(14)20-15)7-6-12-3-2-10-18-11-12/h1-5,10-11H,8-9,17H2,(H,19,20)
InChIKey
HFBRQXKFWHVGRX-UHFFFAOYSA-N
Compound name
2-[4-(2-pyridin-3-ylethynyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.12186 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12914 166.0
[M+Na]+ 285.11108 180.0
[M+NH4]+ 280.15568 170.1
[M+K]+ 301.08502 170.2
[M-H]- 261.11458 161.0
[M+Na-2H]- 283.09653 170.5
[M]+ 262.12131 165.8
[M]- 262.12241 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.