CID 29802

Benzimidazole, 1-(3-(dimethylamino)propyl)-2-(2-(pyrrolidin-1-yl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C18H28N4
SMILES
CN(C)CCCN1C2=CC=CC=C2N=C1CCN3CCCC3
InChI
InChI=1S/C18H28N4/c1-20(2)11-7-14-22-17-9-4-3-8-16(17)19-18(22)10-15-21-12-5-6-13-21/h3-4,8-9H,5-7,10-15H2,1-2H3
InChIKey
AUICYWPZDBWKJA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.23138 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.23866 174.6
[M+Na]+ 323.22060 180.6
[M-H]- 299.22410 179.2
[M+NH4]+ 318.26520 190.6
[M+K]+ 339.19454 176.8
[M+H-H2O]+ 283.22864 164.3
[M+HCOO]- 345.22958 195.1
[M+CH3COO]- 359.24523 185.0
[M+Na-2H]- 321.20605 175.1
[M]+ 300.23083 176.9
[M]- 300.23193 176.9
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.