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 162.0
[M+Na]+ 296.10055 171.0
[M-H]- 272.10405 167.0
[M+NH4]+ 291.14515 178.2
[M+K]+ 312.07449 166.6
[M+H-H2O]+ 256.10859 154.2
[M+HCOO]- 318.10953 180.0
[M+CH3COO]- 332.12518 202.0
[M+Na-2H]- 294.08600 161.8
[M]+ 273.11078 158.9
[M]- 273.11188 158.9
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