CID 50660

Benzimidazole, 1-((2-diethylaminoethyl)-2-(pyrrolidin-1-yl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H31N4
SMILES
CCN(CC)CC[N+]1(C=NC2=CC=CC=C21)CCN3CCCC3
InChI
InChI=1S/C19H31N4/c1-3-21(4-2)13-15-23(16-14-22-11-7-8-12-22)17-20-18-9-5-6-10-19(18)23/h5-6,9-10,17H,3-4,7-8,11-16H2,1-2H3/q+1
InChIKey
LETVRSFOHARJOX-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.25488 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.26216 178.0
[M+Na]+ 338.24410 182.2
[M-H]- 314.24760 182.0
[M+NH4]+ 333.28870 194.8
[M+K]+ 354.21804 173.0
[M+H-H2O]+ 298.25214 170.2
[M+HCOO]- 360.25308 196.3
[M+CH3COO]- 374.26873 205.6
[M+Na-2H]- 336.22955 181.4
[M]+ 315.25433 177.2
[M]- 315.25543 177.2
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.