CID 307287

N,n'-dihexylterephthalamide

Structural Information

Molecular Formula

C₂₀H₃₂N₂O₂

SMILES

CCCCCCNC(=O)C1=CC=C(C=C1)C(=O)NCCCCCC

InChI

InChI=1S/C20H32N2O2/c1-3-5-7-9-15-21-19(23)17-11-13-18(14-12-17)20(24)22-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3,(H,21,23)(H,22,24)

InChIKey

NNGQKAZLMMHZDR-UHFFFAOYSA-N

Compound name

1-N,4-N-dihexylbenzene-1,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 332.24637 Da
Monoisotopic Mass: 5.1
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]+	333.25365	186.9
[M+Na]+	355.23559	194.8
[M+NH4]+	350.28019	192.2
[M+K]+	371.20953	187.6
[M-H]-	331.23909	188.4
[M+Na-2H]-	353.22104	189.9
[M]+	332.24582	188.0
[M]-	332.24692	188.0

Literature stripe

literature stripe

Patent stripe

patents stripe