PubChemLite - Eragidomide (C22H18ClF2N3O4)

Structural Information

Molecular Formula

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)CNC(=O)C(C4=CC=C(C=C4)Cl)(F)F

InChI

InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)

InChIKey

PWBHUSLMHZLGRN-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide

Related CIDs

2D Structure

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]+	462.10268	203.5
[M+Na]+	484.08462	212.5
[M+NH4]+	479.12922	206.8
[M+K]+	500.05856	209.1
[M-H]-	460.08812	203.1
[M+Na-2H]-	482.07007	205.9
[M]+	461.09485	204.3
[M]-	461.09595	204.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.10268

203.5

[M+Na]+

484.08462

212.5

[M+NH4]+

479.12922

206.8

[M+K]+

500.05856

209.1

[M-H]-

460.08812

203.1

[M+Na-2H]-

482.07007

205.9

[M]+

461.09485

204.3

[M]-

461.09595

204.3

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

Eragidomide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe