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 164.8
[M+Na]+ 310.07982 175.7
[M+NH4]+ 305.12442 170.4
[M+K]+ 326.05376 173.0
[M-H]- 286.08332 166.1
[M+Na-2H]- 308.06527 166.8
[M]+ 287.09005 166.2
[M]- 287.09115 166.2
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