PubChemLite - Oglemilast (C20H13Cl2F2N3O5S)

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C23)C(=O)NC4=C(C=NC=C4Cl)Cl)OC(F)F

InChI

InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)

InChIKey

OKFDRAHPFKMAJH-UHFFFAOYSA-N

Compound name

N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide

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]+	515.99938	206.9
[M+Na]+	537.98132	218.6
[M+NH4]+	533.02592	211.3
[M+K]+	553.95526	213.1
[M-H]-	513.98482	208.3
[M+Na-2H]-	535.96677	210.7
[M]+	514.99155	209.7
[M]-	514.99265	209.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.99938

206.9

[M+Na]+

537.98132

218.6

[M+NH4]+

533.02592

211.3

[M+K]+

553.95526

213.1

[M-H]-

513.98482

208.3

[M+Na-2H]-

535.96677

210.7

[M]+

514.99155

209.7

[M]-

514.99265

209.7

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

Oglemilast

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe