CID 134780

Pomalidomide

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₄

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N

InChI

InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)

InChIKey

UVSMNLNDYGZFPF-UHFFFAOYSA-N

Compound name

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 745
References: 29224
Patents: 273.07495 Da
Monoisotopic Mass: 0.2
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]+	274.08223	159.5
[M+Na]+	296.06417	168.5
[M-H]-	272.06767	163.3
[M+NH4]+	291.10877	174.7
[M+K]+	312.03811	163.6
[M+H-H2O]+	256.07221	152.1
[M+HCOO]-	318.07315	176.6
[M+CH3COO]-	332.08880	198.4
[M+Na-2H]-	294.04962	159.6
[M]+	273.07440	155.0
[M]-	273.07550	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe