CID 201784

2-(3-morpholinopropyl)isoindoline-1,3-dione

Structural Information

Molecular Formula
C15H18N2O3
SMILES
C1COCCN1CCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H18N2O3/c18-14-12-4-1-2-5-13(12)15(19)17(14)7-3-6-16-8-10-20-11-9-16/h1-2,4-5H,3,6-11H2
InChIKey
ZPFSVFJDQAQTQZ-UHFFFAOYSA-N
Compound name
2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

274.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 163.1
[M+Na]+ 297.12096 169.7
[M-H]- 273.12446 167.8
[M+NH4]+ 292.16556 177.7
[M+K]+ 313.09490 166.8
[M+H-H2O]+ 257.12900 154.4
[M+HCOO]- 319.12994 179.3
[M+CH3COO]- 333.14559 197.4
[M+Na-2H]- 295.10641 165.3
[M]+ 274.13119 161.9
[M]- 274.13229 161.9
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

patents stripe