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

8
Patents

259.0957 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 157.7
[M+Na]+ 282.08492 165.8
[M-H]- 258.08842 161.1
[M+NH4]+ 277.12952 173.5
[M+K]+ 298.05886 160.8
[M+H-H2O]+ 242.09296 150.1
[M+HCOO]- 304.09390 174.5
[M+CH3COO]- 318.10955 195.4
[M+Na-2H]- 280.07037 158.3
[M]+ 259.09515 152.0
[M]- 259.09625 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