CID 177801915

5,6-diamino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C13H12N4O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)N)N
InChI
InChI=1S/C13H12N4O4/c14-7-3-5-6(4-8(7)15)13(21)17(12(5)20)9-1-2-10(18)16-11(9)19/h3-4,9H,1-2,14-15H2,(H,16,18,19)
InChIKey
ZVEDJOGXVVKELN-UHFFFAOYSA-N
Compound name
5,6-diamino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.08585 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.093126 163.7
[M+Na]+ 311.075068 172.8
[M-H]- 287.078574 167.4
[M+NH4]+ 306.119673 178.0
[M+K]+ 327.049008 167.7
[M+H-H2O]+ 271.083110 156.4
[M+HCOO]- 333.084051 181.2
[M+CH3COO]- 347.099701 204.9
[M+Na-2H]- 309.060516 162.8
[M]+ 288.08530142 158.1
[M]- 288.08639858 158.1
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.