PubChemLite - Schembl2845279 (C24H22FN3O5S)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=NC=C3)N(C)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O5S/c1-26-24(29)22-18-12-21(32-14-15-8-10-27-11-9-15)19(28(2)34(3,30)31)13-20(18)33-23(22)16-4-6-17(25)7-5-16/h4-13H,14H2,1-3H3,(H,26,29)

InChIKey

HKHCNCPLYCYNEZ-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(pyridin-4-ylmethoxy)-1-benzofuran-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]+	484.13371	214.8
[M+Na]+	506.11565	223.3
[M-H]-	482.11915	226.0
[M+NH4]+	501.16025	222.7
[M+K]+	522.08959	220.3
[M+H-H2O]+	466.12369	204.5
[M+HCOO]-	528.12463	232.0
[M+CH3COO]-	542.14028	242.3
[M+Na-2H]-	504.10110	216.9
[M]+	483.12588	223.5
[M]-	483.12698	223.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.13371

214.8

[M+Na]+

506.11565

223.3

[M-H]-

482.11915

226.0

[M+NH4]+

501.16025

222.7

[M+K]+

522.08959

220.3

[M+H-H2O]+

466.12369

204.5

[M+HCOO]-

528.12463

232.0

[M+CH3COO]-

542.14028

242.3

[M+Na-2H]-

504.10110

216.9

[M]+

483.12588

223.5

[M]-

483.12698

223.5

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

Schembl2845279

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe