CID 134348132

Lenalidomide-i

Structural Information

Molecular Formula

C₁₃H₁₁IN₂O₃

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3I

InChI

InChI=1S/C13H11IN2O3/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,4-6H2,(H,15,17,18)

InChIKey

BKIUJJLYXXEGFT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 369.98145 Da
Monoisotopic Mass: 0.8
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]+	370.988726	157.7
[M+Na]+	392.970668	159.3
[M-H]-	368.974174	154.3
[M+NH4]+	388.015273	169.1
[M+K]+	408.944608	160.4
[M+H-H2O]+	352.978710	146.8
[M+HCOO]-	414.979651	169.3
[M+CH3COO]-	428.995301	201.3
[M+Na-2H]-	390.956116	147.6
[M]+	369.98090142	151.4
[M]-	369.98199858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe