CID 216326

Lenalidomide

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N

InChI

InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)

InChIKey

GOTYRUGSSMKFNF-UHFFFAOYSA-N

Compound name

3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 3979
References: 45333
Patents: 259.0957 Da
Monoisotopic Mass: -0.5
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]+	260.102976	157.7
[M+Na]+	282.084918	165.8
[M-H]-	258.088424	161.1
[M+NH4]+	277.129523	173.5
[M+K]+	298.058858	160.8
[M+H-H2O]+	242.092960	150.1
[M+HCOO]-	304.093901	174.5
[M+CH3COO]-	318.109551	195.4
[M+Na-2H]-	280.070366	158.3
[M]+	259.09515142	152.0
[M]-	259.09624858	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe