CID 59809876

2133816-23-4

Structural Information

Molecular Formula
C14H15N3O3
SMILES
CN1C(=O)CCC(C1=O)N2CC3=C(C2=O)C=CC=C3N
InChI
InChI=1S/C14H15N3O3/c1-16-12(18)6-5-11(14(16)20)17-7-9-8(13(17)19)3-2-4-10(9)15/h2-4,11H,5-7,15H2,1H3
InChIKey
BFAKEGSEMVIKLE-UHFFFAOYSA-N
Compound name
3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-methylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

273.11133 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11861 162.5
[M+Na]+ 296.10055 173.5
[M+NH4]+ 291.14515 169.0
[M+K]+ 312.07449 170.1
[M-H]- 272.10405 164.5
[M+Na-2H]- 294.08600 165.3
[M]+ 273.11078 164.2
[M]- 273.11188 164.2
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