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

30
Patents

287.0906 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09788 163.5
[M+Na]+ 310.07982 173.4
[M-H]- 286.08332 168.8
[M+NH4]+ 305.12442 179.2
[M+K]+ 326.05376 169.1
[M+H-H2O]+ 270.08786 156.0
[M+HCOO]- 332.08880 181.7
[M+CH3COO]- 346.10445 204.9
[M+Na-2H]- 308.06527 162.8
[M]+ 287.09005 161.5
[M]- 287.09115 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