CID 58572149

1352827-50-9

Structural Information

Molecular Formula
C14H13N3O4
SMILES
CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N
InChI
InChI=1S/C14H13N3O4/c1-16-10(18)6-5-9(13(16)20)17-12(19)7-3-2-4-8(15)11(7)14(17)21/h2-4,9H,5-6,15H2,1H3
InChIKey
YSWQOCGODHPKED-UHFFFAOYSA-N
Compound name
4-amino-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

287.0906 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.097876 163.5
[M+Na]+ 310.079818 173.4
[M-H]- 286.083324 168.8
[M+NH4]+ 305.124423 179.2
[M+K]+ 326.053758 169.1
[M+H-H2O]+ 270.087860 156.0
[M+HCOO]- 332.088801 181.7
[M+CH3COO]- 346.104451 204.9
[M+Na-2H]- 308.065266 162.8
[M]+ 287.09005142 161.5
[M]- 287.09114858 161.5
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