CID 43615

Benzamide, n,n-diethyl-4-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2h-isoindol-2-yl)-

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₃

SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)CCCC3

InChI

InChI=1S/C19H22N2O3/c1-3-20(4-2)17(22)13-9-11-14(12-10-13)21-18(23)15-7-5-6-8-16(15)19(21)24/h9-12H,3-8H2,1-2H3

InChIKey

JRBLVDGKBLSAKU-UHFFFAOYSA-N

Compound name

4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N,N-diethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.16306 Da
Monoisotopic Mass: 2.6
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]+	327.170336	177.3
[M+Na]+	349.152278	183.1
[M-H]-	325.155784	184.5
[M+NH4]+	344.196883	193.0
[M+K]+	365.126218	179.8
[M+H-H2O]+	309.160320	169.0
[M+HCOO]-	371.161261	196.5
[M+CH3COO]-	385.176911	215.2
[M+Na-2H]-	347.137726	176.2
[M]+	326.16251142	177.4
[M]-	326.16360858	177.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.