CID 6918627

469861-49-2

Structural Information

Molecular Formula
C22H19N3O
SMILES
C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H19N3O/c26-21(18-11-5-2-6-12-18)24-22-23-19-13-7-8-14-20(19)25(22)16-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,23,24,26)
InChIKey
CDUDZZGLFOFINU-UHFFFAOYSA-N
Compound name
N-[1-(2-phenylethyl)benzimidazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

341.1528 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.160076 181.1
[M+Na]+ 364.142018 188.5
[M-H]- 340.145524 189.2
[M+NH4]+ 359.186623 193.5
[M+K]+ 380.115958 181.4
[M+H-H2O]+ 324.150060 170.1
[M+HCOO]- 386.151001 203.6
[M+CH3COO]- 400.166651 191.4
[M+Na-2H]- 362.127466 186.4
[M]+ 341.15225142 182.2
[M]- 341.15334858 182.2
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.