CID 204604

Benzimidazole, 2-(2-(1-pyrrolidinyl)ethyl)-

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CCN(C1)CCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H17N3/c1-2-6-12-11(5-1)14-13(15-12)7-10-16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,14,15)
InChIKey
MYGTZWXBSAHKNF-UHFFFAOYSA-N
Compound name
2-(2-pyrrolidin-1-ylethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 148.6
[M+Na]+ 238.13146 156.4
[M-H]- 214.13496 150.8
[M+NH4]+ 233.17606 166.8
[M+K]+ 254.10540 151.6
[M+H-H2O]+ 198.13950 139.8
[M+HCOO]- 260.14044 167.9
[M+CH3COO]- 274.15609 160.2
[M+Na-2H]- 236.11691 152.1
[M]+ 215.14169 146.4
[M]- 215.14279 146.4
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.