PubChemLite - Uk-500001 (C26H24F3N3O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)O)C(=O)NC2CCC(CC2)NC(=O)C3=C(N=CC(=C3)F)OC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C26H24F3N3O4/c1-14-2-9-23(33)19(10-14)24(34)31-16-3-5-17(6-4-16)32-25(35)20-11-15(27)13-30-26(20)36-18-7-8-21(28)22(29)12-18/h2,7-13,16-17,33H,3-6H2,1H3,(H,31,34)(H,32,35)

InChIKey

OHIUQAZROSYCMC-UHFFFAOYSA-N

Compound name

2-(3,4-difluorophenoxy)-5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]pyridine-3-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]+	500.17918	219.0
[M+Na]+	522.16112	223.4
[M-H]-	498.16462	224.7
[M+NH4]+	517.20572	222.3
[M+K]+	538.13506	217.2
[M+H-H2O]+	482.16916	204.2
[M+HCOO]-	544.17010	232.2
[M+CH3COO]-	558.18575	245.6
[M+Na-2H]-	520.14657	214.5
[M]+	499.17135	212.6
[M]-	499.17245	212.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.17918

219.0

[M+Na]+

522.16112

223.4

[M-H]-

498.16462

224.7

[M+NH4]+

517.20572

222.3

[M+K]+

538.13506

217.2

[M+H-H2O]+

482.16916

204.2

[M+HCOO]-

544.17010

232.2

[M+CH3COO]-

558.18575

245.6

[M+Na-2H]-

520.14657

214.5

[M]+

499.17135

212.6

[M]-

499.17245

212.6

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

Uk-500001

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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