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

2
Patents

265.1579 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.165176 162.5
[M+Na]+ 288.147118 171.8
[M-H]- 264.150624 166.3
[M+NH4]+ 283.191723 178.5
[M+K]+ 304.121058 164.7
[M+H-H2O]+ 248.155160 153.9
[M+HCOO]- 310.156101 184.2
[M+CH3COO]- 324.171751 174.0
[M+Na-2H]- 286.132566 167.3
[M]+ 265.15735142 162.4
[M]- 265.15844858 162.4
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.