CID 58572147

1283964-17-9

Structural Information

Molecular Formula
C13H13N3O3
SMILES
C1CC(C(=O)NC1)N2C(=O)C3=C(C2=O)C(=CC=C3)N
InChI
InChI=1S/C13H13N3O3/c14-8-4-1-3-7-10(8)13(19)16(12(7)18)9-5-2-6-15-11(9)17/h1,3-4,9H,2,5-6,14H2,(H,15,17)
InChIKey
GWHXPFBXPSHXGR-UHFFFAOYSA-N
Compound name
4-amino-2-(2-oxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

259.0957 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.102976 157.7
[M+Na]+ 282.084918 165.8
[M-H]- 258.088424 161.1
[M+NH4]+ 277.129523 173.5
[M+K]+ 298.058858 160.8
[M+H-H2O]+ 242.092960 150.1
[M+HCOO]- 304.093901 174.5
[M+CH3COO]- 318.109551 195.4
[M+Na-2H]- 280.070366 158.3
[M]+ 259.09515142 152.0
[M]- 259.09624858 152.0
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