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

12
Patents

317.10117 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.108446 170.3
[M+Na]+ 340.090388 178.1
[M-H]- 316.093894 173.7
[M+NH4]+ 335.134993 183.6
[M+K]+ 356.064328 173.5
[M+H-H2O]+ 300.098430 162.4
[M+HCOO]- 362.099371 186.9
[M+CH3COO]- 376.115021 206.8
[M+Na-2H]- 338.075836 169.7
[M]+ 317.10062142 167.9
[M]- 317.10171858 167.9
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