CID 675103

107313-47-3

Structural Information

Molecular Formula

C₁₆H₁₅N₃O

SMILES

C1=CC=C(C=C1)C(=O)NCCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H15N3O/c20-16(12-6-2-1-3-7-12)17-11-10-15-18-13-8-4-5-9-14(13)19-15/h1-9H,10-11H2,(H,17,20)(H,18,19)

InChIKey

YRGGTYXDASSWSH-UHFFFAOYSA-N

Compound name

N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 6
Patents: 265.12152 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.12880	160.9
[M+Na]+	288.11074	174.6
[M+NH4]+	283.15534	168.7
[M+K]+	304.08468	168.6
[M-H]-	264.11424	164.5
[M+Na-2H]-	286.09619	169.5
[M]+	265.12097	163.8
[M]-	265.12207	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe