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: 39
Patents: 273.11133 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe