CID 165943186

2-[5-(2-phenylethyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C17H19N3
SMILES
C1=CC=C(C=C1)CCC2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C17H19N3/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,6-7,10-11,18H2,(H,19,20)
InChIKey
ZNOUYJYGSRZUGN-UHFFFAOYSA-N
Compound name
2-[6-(2-phenylethyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.1579 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.165176 161.6
[M+Na]+ 288.147118 170.0
[M-H]- 264.150624 165.0
[M+NH4]+ 283.191723 177.2
[M+K]+ 304.121058 162.8
[M+H-H2O]+ 248.155160 152.8
[M+HCOO]- 310.156101 183.4
[M+CH3COO]- 324.171751 172.8
[M+Na-2H]- 286.132566 167.2
[M]+ 265.15735142 161.1
[M]- 265.15844858 161.1
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.