PubChemLite - Golcadomide (C28H30FN5O5)

Structural Information

Molecular Formula

SMILES

C1CC(=O)NC(=O)[C@H]1N2C(=O)C3=C(C2=O)C(=CC=C3)NCC4=C(C=C(C=C4)CN5CC(C5)N6CCOCC6)F

InChI

InChI=1S/C28H30FN5O5/c29-21-12-17(14-32-15-19(16-32)33-8-10-39-11-9-33)4-5-18(21)13-30-22-3-1-2-20-25(22)28(38)34(27(20)37)23-6-7-24(35)31-26(23)36/h1-5,12,19,23,30H,6-11,13-16H2,(H,31,35,36)/t23-/m0/s1

InChIKey

NZYDBVQXOGPDDU-QHCPKHFHSA-N

Compound name

2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-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]+	536.23038	227.9
[M+Na]+	558.21232	229.3
[M-H]-	534.21582	234.8
[M+NH4]+	553.25692	220.6
[M+K]+	574.18626	226.4
[M+H-H2O]+	518.22036	207.9
[M+HCOO]-	580.22130	231.7
[M+CH3COO]-	594.23695	230.3
[M+Na-2H]-	556.19777	219.3
[M]+	535.22255	228.4
[M]-	535.22365	228.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

536.23038

227.9

[M+Na]+

558.21232

229.3

[M-H]-

534.21582

234.8

[M+NH4]+

553.25692

220.6

[M+K]+

574.18626

226.4

[M+H-H2O]+

518.22036

207.9

[M+HCOO]-

580.22130

231.7

[M+CH3COO]-

594.23695

230.3

[M+Na-2H]-

556.19777

219.3

[M]+

535.22255

228.4

[M]-

535.22365

228.4

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

Golcadomide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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