PubChemLite - Mezigdomide (C32H30FN5O4)

Structural Information

Molecular Formula

SMILES

C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C(C=C6)C#N)F

InChI

InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1

InChIKey

YTINZZFBHWSAGL-NDEPHWFRSA-N

Compound name

4-[4-[[4-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrile

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]+	568.23548	234.8
[M+Na]+	590.21742	240.8
[M-H]-	566.22092	238.0
[M+NH4]+	585.26202	232.8
[M+K]+	606.19136	227.7
[M+H-H2O]+	550.22546	212.8
[M+HCOO]-	612.22640	236.9
[M+CH3COO]-	626.24205	235.7
[M+Na-2H]-	588.20287	226.0
[M]+	567.22765	222.2
[M]-	567.22875	222.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

568.23548

234.8

[M+Na]+

590.21742

240.8

[M-H]-

566.22092

238.0

[M+NH4]+

585.26202

232.8

[M+K]+

606.19136

227.7

[M+H-H2O]+

550.22546

212.8

[M+HCOO]-

612.22640

236.9

[M+CH3COO]-

626.24205

235.7

[M+Na-2H]-

588.20287

226.0

[M]+

567.22765

222.2

[M]-

567.22875

222.2

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

Mezigdomide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe