CID 132117123

2955709-58-5

Structural Information

Molecular Formula
C18H20N4O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)N
InChI
InChI=1S/C18H20N4O4/c19-10-6-8-21(9-7-10)12-3-1-2-11-15(12)18(26)22(17(11)25)13-4-5-14(23)20-16(13)24/h1-3,10,13H,4-9,19H2,(H,20,23,24)
InChIKey
ZPLOAIPNIXYUMK-UHFFFAOYSA-N
Compound name
4-(4-aminopiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

356.14847 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.155746 185.8
[M+Na]+ 379.137688 191.6
[M-H]- 355.141194 190.1
[M+NH4]+ 374.182293 195.5
[M+K]+ 395.111628 185.5
[M+H-H2O]+ 339.145730 176.0
[M+HCOO]- 401.146671 196.6
[M+CH3COO]- 415.162321 193.3
[M+Na-2H]- 377.123136 181.7
[M]+ 356.14792142 177.1
[M]- 356.14901858 177.1
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

patents stripe