CID 252156

N,n'-diphenylterephthalamide

Structural Information

Molecular Formula

C₂₀H₁₆N₂O₂

SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O2/c23-19(21-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(24)22-18-9-5-2-6-10-18/h1-14H,(H,21,23)(H,22,24)

InChIKey

MXHDSBYJGVZESK-UHFFFAOYSA-N

Compound name

1-N,4-N-diphenylbenzene-1,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 155
Patents: 316.1212 Da
Monoisotopic Mass: 3.5
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]+	317.128476	173.7
[M+Na]+	339.110418	178.0
[M-H]-	315.113924	182.9
[M+NH4]+	334.155023	186.2
[M+K]+	355.084358	173.2
[M+H-H2O]+	299.118460	163.9
[M+HCOO]-	361.119401	198.1
[M+CH3COO]-	375.135051	210.1
[M+Na-2H]-	337.095866	178.9
[M]+	316.12065142	171.1
[M]-	316.12174858	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe