CID 2729471

5,6-dimethyl-2-[4-(morpholin-4-yl)phenyl]-2,3,3a,4,7,7a-hexahydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)N4CCOCC4)C
InChI
InChI=1S/C20H24N2O3/c1-13-11-17-18(12-14(13)2)20(24)22(19(17)23)16-5-3-15(4-6-16)21-7-9-25-10-8-21/h3-6,17-18H,7-12H2,1-2H3
InChIKey
GQCZEUJZMZKGFY-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-(4-morpholin-4-ylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.17868 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 183.0
[M+Na]+ 363.16790 195.9
[M+NH4]+ 358.21250 190.4
[M+K]+ 379.14184 190.8
[M-H]- 339.17140 188.9
[M+Na-2H]- 361.15335 186.9
[M]+ 340.17813 186.4
[M]- 340.17923 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.