CID 142699692

5-(2-aminoethyl)-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione hydrochloride

Structural Information

Molecular Formula
C15H15N3O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)CCN
InChI
InChI=1S/C15H15N3O4/c16-6-5-8-1-2-9-10(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
ILHWWHYPPUOICI-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.10626 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11354 168.3
[M+Na]+ 324.09548 176.4
[M-H]- 300.09898 171.7
[M+NH4]+ 319.14008 182.4
[M+K]+ 340.06942 171.1
[M+H-H2O]+ 284.10352 160.5
[M+HCOO]- 346.10446 184.7
[M+CH3COO]- 360.12011 204.4
[M+Na-2H]- 322.08093 167.4
[M]+ 301.10571 164.4
[M]- 301.10681 164.4
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

No patent data available for this compound.