CID 165588613

2-(1-butyl-5-phenyl-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

293.1892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.196476 171.7
[M+Na]+ 316.178418 180.5
[M-H]- 292.181924 176.5
[M+NH4]+ 311.223023 187.1
[M+K]+ 332.152358 173.7
[M+H-H2O]+ 276.186460 162.3
[M+HCOO]- 338.187401 194.2
[M+CH3COO]- 352.203051 182.9
[M+Na-2H]- 314.163866 175.7
[M]+ 293.18865142 174.0
[M]- 293.18974858 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.