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]+ 342.16008 181.1
[M+Na]+ 364.14202 188.5
[M-H]- 340.14552 189.2
[M+NH4]+ 359.18662 193.5
[M+K]+ 380.11596 181.4
[M+H-H2O]+ 324.15006 170.1
[M+HCOO]- 386.15100 203.6
[M+CH3COO]- 400.16665 191.4
[M+Na-2H]- 362.12747 186.4
[M]+ 341.15225 182.2
[M]- 341.15335 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.