CID 165941644

2-[5-(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=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C17H15N3/c18-11-10-17-19-15-9-8-14(12-16(15)20-17)7-6-13-4-2-1-3-5-13/h1-5,8-9,12H,10-11,18H2,(H,19,20)
InChIKey
OMTYCKNBKIFNDA-UHFFFAOYSA-N
Compound name
2-[6-(2-phenylethynyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.1266 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.133876 166.3
[M+Na]+ 284.115818 177.3
[M-H]- 260.119324 166.6
[M+NH4]+ 279.160423 179.7
[M+K]+ 300.089758 167.2
[M+H-H2O]+ 244.123860 151.1
[M+HCOO]- 306.124801 181.7
[M+CH3COO]- 320.140451 175.2
[M+Na-2H]- 282.101266 169.6
[M]+ 261.12605142 159.0
[M]- 261.12714858 159.0
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.