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

0
Patents

265.1579 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 161.6
[M+Na]+ 288.14712 170.0
[M-H]- 264.15062 165.0
[M+NH4]+ 283.19172 177.2
[M+K]+ 304.12106 162.8
[M+H-H2O]+ 248.15516 152.8
[M+HCOO]- 310.15610 183.4
[M+CH3COO]- 324.17175 172.8
[M+Na-2H]- 286.13257 167.2
[M]+ 265.15735 161.1
[M]- 265.15845 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.