CID 165940724

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

Structural Information

Molecular Formula
C17H19N3
SMILES
CCC1=CC=CC=C1C2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C17H19N3/c1-2-12-5-3-4-6-14(12)13-7-8-15-16(11-13)20-17(19-15)9-10-18/h3-8,11H,2,9-10,18H2,1H3,(H,19,20)
InChIKey
MCSWLJDEJHKFSE-UHFFFAOYSA-N
Compound name
2-[6-(2-ethylphenyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1579 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 163.1
[M+Na]+ 288.14712 177.9
[M+NH4]+ 283.19172 171.6
[M+K]+ 304.12106 171.0
[M-H]- 264.15062 167.6
[M+Na-2H]- 286.13257 171.4
[M]+ 265.15735 166.6
[M]- 265.15845 166.6
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.