CID 201784

6820-95-7

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]+ 275.139016 163.1
[M+Na]+ 297.120958 169.7
[M-H]- 273.124464 167.8
[M+NH4]+ 292.165563 177.7
[M+K]+ 313.094898 166.8
[M+H-H2O]+ 257.129000 154.4
[M+HCOO]- 319.129941 179.3
[M+CH3COO]- 333.145591 197.4
[M+Na-2H]- 295.106406 165.3
[M]+ 274.13119142 161.9
[M]- 274.13228858 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