CID 165944588

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

Structural Information

Molecular Formula
C17H19N3
SMILES
CC1=C(C(=CC=C1)C2=CC3=C(C=C2)N=C(N3)CCN)C
InChI
InChI=1S/C17H19N3/c1-11-4-3-5-14(12(11)2)13-6-7-15-16(10-13)20-17(19-15)8-9-18/h3-7,10H,8-9,18H2,1-2H3,(H,19,20)
InChIKey
HCUIVBLAFPYRHR-UHFFFAOYSA-N
Compound name
2-[6-(2,3-dimethylphenyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1579 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 163.3
[M+Na]+ 288.14712 173.5
[M-H]- 264.15062 167.5
[M+NH4]+ 283.19172 179.5
[M+K]+ 304.12106 166.4
[M+H-H2O]+ 248.15516 154.9
[M+HCOO]- 310.15610 185.0
[M+CH3COO]- 324.17175 175.1
[M+Na-2H]- 286.13257 167.2
[M]+ 265.15735 163.6
[M]- 265.15845 163.6
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.