CID 1752804

N(1),n(6)-bis(3-methylphenyl)hexanediamide

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₂

SMILES

CC1=CC(=CC=C1)NC(=O)CCCCC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C20H24N2O2/c1-15-7-5-9-17(13-15)21-19(23)11-3-4-12-20(24)22-18-10-6-8-16(2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,23)(H,22,24)

InChIKey

LGMPARIILLILSF-UHFFFAOYSA-N

Compound name

N,N'-bis(3-methylphenyl)hexanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 324.18378 Da
Monoisotopic Mass: 3.3
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]+	325.191056	180.3
[M+Na]+	347.172998	184.4
[M-H]-	323.176504	186.3
[M+NH4]+	342.217603	193.6
[M+K]+	363.146938	180.1
[M+H-H2O]+	307.181040	171.4
[M+HCOO]-	369.181981	203.5
[M+CH3COO]-	383.197631	215.1
[M+Na-2H]-	345.158446	182.0
[M]+	324.18323142	180.8
[M]-	324.18432858	180.8

Literature stripe

literature stripe

Patent stripe

patents stripe