CID 984618

N~1~,n~3~-bis(4-ethylphenyl)isophthalamide

Structural Information

Molecular Formula

C₂₄H₂₄N₂O₂

SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC=C(C=C3)CC

InChI

InChI=1S/C24H24N2O2/c1-3-17-8-12-21(13-9-17)25-23(27)19-6-5-7-20(16-19)24(28)26-22-14-10-18(4-2)11-15-22/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)

InChIKey

UEUPWKVBZGHMHB-UHFFFAOYSA-N

Compound name

1-N,3-N-bis(4-ethylphenyl)benzene-1,3-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.18378 Da
Monoisotopic Mass: 5.2
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]+	373.191056	192.4
[M+Na]+	395.172998	196.7
[M-H]-	371.176504	201.6
[M+NH4]+	390.217603	203.2
[M+K]+	411.146938	191.2
[M+H-H2O]+	355.181040	182.1
[M+HCOO]-	417.181981	215.3
[M+CH3COO]-	431.197631	224.3
[M+Na-2H]-	393.158446	193.9
[M]+	372.18323142	192.0
[M]-	372.18432858	192.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.