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 166.3
[M+Na]+ 284.11582 177.3
[M-H]- 260.11932 166.6
[M+NH4]+ 279.16042 179.7
[M+K]+ 300.08976 167.2
[M+H-H2O]+ 244.12386 151.1
[M+HCOO]- 306.12480 181.7
[M+CH3COO]- 320.14045 175.2
[M+Na-2H]- 282.10127 169.6
[M]+ 261.12605 159.0
[M]- 261.12715 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.