CID 69518

644-33-7

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₂

SMILES

C1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2/c19-15(13-7-3-1-4-8-13)17-11-12-18-16(20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)

InChIKey

NWGGAHDZCNJXJA-UHFFFAOYSA-N

Compound name

N-(2-benzamidoethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 69
Patents: 268.1212 Da
Monoisotopic Mass: 2.2
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]+	269.12848	163.8
[M+Na]+	291.11042	175.2
[M+NH4]+	286.15502	171.1
[M+K]+	307.08436	168.2
[M-H]-	267.11392	168.3
[M+Na-2H]-	289.09587	172.4
[M]+	268.12065	166.4
[M]-	268.12175	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe