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

19
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 170.3
[M+Na]+ 340.09039 178.1
[M-H]- 316.09389 173.7
[M+NH4]+ 335.13499 183.6
[M+K]+ 356.06433 173.5
[M+H-H2O]+ 300.09843 162.4
[M+HCOO]- 362.09937 186.9
[M+CH3COO]- 376.11502 206.8
[M+Na-2H]- 338.07584 169.7
[M]+ 317.10062 167.9
[M]- 317.10172 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