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]+ 253.16992 160.7
[M+Na]+ 275.15186 168.2
[M-H]- 251.15536 165.1
[M+NH4]+ 270.19646 177.9
[M+K]+ 291.12580 162.8
[M+H-H2O]+ 235.15990 151.5
[M+HCOO]- 297.16084 180.5
[M+CH3COO]- 311.17649 172.1
[M+Na-2H]- 273.13731 164.8
[M]+ 252.16209 160.6
[M]- 252.16319 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.