CID 29804

2-benzyl-1-(3-dimethylaminopropyl)benzimidazole hydrochloride

Structural Information

Molecular Formula
C19H23N3
SMILES
CN(C)CCCN1C2=CC=CC=C2N=C1CC3=CC=CC=C3
InChI
InChI=1S/C19H23N3/c1-21(2)13-8-14-22-18-12-7-6-11-17(18)20-19(22)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKey
NRSAGCDHROXXKE-UHFFFAOYSA-N
Compound name
3-(2-benzylbenzimidazol-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1892 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19648 171.5
[M+Na]+ 316.17842 179.3
[M-H]- 292.18192 177.7
[M+NH4]+ 311.22302 187.4
[M+K]+ 332.15236 174.3
[M+H-H2O]+ 276.18646 161.5
[M+HCOO]- 338.18740 195.0
[M+CH3COO]- 352.20305 183.1
[M+Na-2H]- 314.16387 176.4
[M]+ 293.18865 175.5
[M]- 293.18975 175.5
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.