CID 510025

1-ethyl-3-phenethyl-2h-benzimidazole

Structural Information

Molecular Formula
C17H20N2
SMILES
CCN1CN(C2=CC=CC=C21)CCC3=CC=CC=C3
InChI
InChI=1S/C17H20N2/c1-2-18-14-19(17-11-7-6-10-16(17)18)13-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKey
GPFAXAMWBJDEMG-UHFFFAOYSA-N
Compound name
1-ethyl-3-(2-phenylethyl)-2H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.16264 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.169916 160.7
[M+Na]+ 275.151858 168.2
[M-H]- 251.155364 165.1
[M+NH4]+ 270.196463 177.9
[M+K]+ 291.125798 162.8
[M+H-H2O]+ 235.159900 151.5
[M+HCOO]- 297.160841 180.5
[M+CH3COO]- 311.176491 172.1
[M+Na-2H]- 273.137306 164.8
[M]+ 252.16209142 160.6
[M]- 252.16318858 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.