PubChemLite - Iberdomide (C25H27N3O5)

Structural Information

Molecular Formula

SMILES

C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCOCC5

InChI

InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1

InChIKey

IXZOHGPZAQLIBH-NRFANRHFSA-N

Compound name

(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

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]+	450.20235	210.2
[M+Na]+	472.18429	222.2
[M+NH4]+	467.22889	215.2
[M+K]+	488.15823	217.5
[M-H]-	448.18779	216.0
[M+Na-2H]-	470.16974	213.9
[M]+	449.19452	213.2
[M]-	449.19562	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.20235

210.2

[M+Na]+

472.18429

222.2

[M+NH4]+

467.22889

215.2

[M+K]+

488.15823

217.5

[M-H]-

448.18779

216.0

[M+Na-2H]-

470.16974

213.9

[M]+

449.19452

213.2

[M]-

449.19562

213.2

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

Iberdomide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe