PubChemLite - Lobeglitazone (C24H24N4O5S)

Structural Information

Molecular Formula

SMILES

CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC(=NC=N3)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H24N4O5S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30)

InChIKey

CHHXEZSCHQVSRE-UHFFFAOYSA-N

Compound name

5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-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]+	481.15401	212.4
[M+Na]+	503.13595	224.9
[M+NH4]+	498.18055	217.0
[M+K]+	519.10989	218.4
[M-H]-	479.13945	217.7
[M+Na-2H]-	501.12140	220.3
[M]+	480.14618	215.9
[M]-	480.14728	215.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.15401

212.4

[M+Na]+

503.13595

224.9

[M+NH4]+

498.18055

217.0

[M+K]+

519.10989

218.4

[M-H]-

479.13945

217.7

[M+Na-2H]-

501.12140

220.3

[M]+

480.14618

215.9

[M]-

480.14728

215.9

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

Lobeglitazone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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