CID 165941427

2-[7-(2-phenylethynyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C17H15N3
SMILES
C1=CC=C(C=C1)C#CC2=C3C(=CC=C2)NC(=N3)CCN
InChI
InChI=1S/C17H15N3/c18-12-11-16-19-15-8-4-7-14(17(15)20-16)10-9-13-5-2-1-3-6-13/h1-8H,11-12,18H2,(H,19,20)
InChIKey
XHMDYOLYXBADTO-UHFFFAOYSA-N
Compound name
2-[4-(2-phenylethynyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1266 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 166.1
[M+Na]+ 284.11582 180.1
[M+NH4]+ 279.16042 170.8
[M+K]+ 300.08976 169.9
[M-H]- 260.11932 161.8
[M+Na-2H]- 282.10127 170.8
[M]+ 261.12605 166.1
[M]- 261.12715 166.1
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.