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

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.

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No literature data available for this compound.

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No patent data available for this compound.