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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 184.8
[M+Na]+ 379.16282 189.0
[M-H]- 355.16632 191.8
[M+NH4]+ 374.20742 195.3
[M+K]+ 395.13676 185.5
[M+H-H2O]+ 339.17086 174.4
[M+HCOO]- 401.17180 197.7
[M+CH3COO]- 415.18745 193.2
[M+Na-2H]- 377.14827 183.7
[M]+ 356.17305 181.5
[M]- 356.17415 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.