CID 43622

1h-isoindole-1,3(2h)-dione, 4,5,6,7-tetrahydro-2-(4-(2-(4-morpholinyl)ethoxy)phenyl)-, monohydrochloride

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₄

SMILES

C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)OCCN4CCOCC4

InChI

InChI=1S/C20H24N2O4/c23-19-17-6-1-2-7-18(17)20(24)22(19)15-4-3-5-16(14-15)26-13-10-21-8-11-25-12-9-21/h3-5,14H,1-2,6-13H2

InChIKey

JKIMIAOJCLANSW-UHFFFAOYSA-N

Compound name

2-[3-(2-morpholin-4-ylethoxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 356.1736 Da
Monoisotopic Mass: 2.1
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]+	357.180876	184.8
[M+Na]+	379.162818	189.0
[M-H]-	355.166324	191.8
[M+NH4]+	374.207423	195.3
[M+K]+	395.136758	185.5
[M+H-H2O]+	339.170860	174.4
[M+HCOO]-	401.171801	197.7
[M+CH3COO]-	415.187451	193.2
[M+Na-2H]-	377.148266	183.7
[M]+	356.17305142	181.5
[M]-	356.17414858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.