CID 156820724

2694727-89-2

Structural Information

Molecular Formula
C15H15N3O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCN
InChI
InChI=1S/C15H15N3O5/c16-5-6-23-8-1-2-9-10(7-8)15(22)18(14(9)21)11-3-4-12(19)17-13(11)20/h1-2,7,11H,3-6,16H2,(H,17,19,20)
InChIKey
JVFDSNVQXFBSJM-UHFFFAOYSA-N
Compound name
5-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

317.10117 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10845 172.1
[M+Na]+ 340.09039 181.3
[M+NH4]+ 335.13499 176.6
[M+K]+ 356.06433 179.1
[M-H]- 316.09389 172.3
[M+Na-2H]- 338.07584 173.1
[M]+ 317.10062 172.8
[M]- 317.10172 172.8
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