CID 156218787

2768326-37-8

Structural Information

Molecular Formula
C14H15N3O3
SMILES
CN1C(=O)CCC(C1=O)N2CC3=C(C2=O)C=CC(=C3)N
InChI
InChI=1S/C14H15N3O3/c1-16-12(18)5-4-11(14(16)20)17-7-8-6-9(15)2-3-10(8)13(17)19/h2-3,6,11H,4-5,7,15H2,1H3
InChIKey
CMHQPTBPDFUNKW-UHFFFAOYSA-N
Compound name
3-(6-amino-3-oxo-1H-isoindol-2-yl)-1-methylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

273.11133 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.118606 162.0
[M+Na]+ 296.100548 171.0
[M-H]- 272.104054 167.0
[M+NH4]+ 291.145153 178.2
[M+K]+ 312.074488 166.6
[M+H-H2O]+ 256.108590 154.2
[M+HCOO]- 318.109531 180.0
[M+CH3COO]- 332.125181 202.0
[M+Na-2H]- 294.085996 161.8
[M]+ 273.11078142 158.9
[M]- 273.11187858 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