CID 165847704

2-(1-butyl-6-phenyl-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C19H23N3
SMILES
CCCCN1C2=C(C=CC(=C2)C3=CC=CC=C3)N=C1CCN
InChI
InChI=1S/C19H23N3/c1-2-3-13-22-18-14-16(15-7-5-4-6-8-15)9-10-17(18)21-19(22)11-12-20/h4-10,14H,2-3,11-13,20H2,1H3
InChIKey
PYUAFCHHVFEMEE-UHFFFAOYSA-N
Compound name
2-(1-butyl-6-phenylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19648 171.7
[M+Na]+ 316.17842 180.5
[M-H]- 292.18192 176.5
[M+NH4]+ 311.22302 187.1
[M+K]+ 332.15236 173.7
[M+H-H2O]+ 276.18646 162.3
[M+HCOO]- 338.18740 194.2
[M+CH3COO]- 352.20305 182.9
[M+Na-2H]- 314.16387 175.7
[M]+ 293.18865 174.0
[M]- 293.18975 174.0
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.