PubChemLite - Schembl2836755 (C23H22FN3O5)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1C(CNC1=O)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C23H22FN3O5/c1-25-21(28)18-14-9-16(31-3)13(15-10-27-23(30)19(15)22(29)26-2)8-17(14)32-20(18)11-4-6-12(24)7-5-11/h4-9,15,19H,10H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)

InChIKey

FOLPROXLDJWDOO-UHFFFAOYSA-N

Compound name

4-[2-(4-fluorophenyl)-5-methoxy-3-(methylcarbamoyl)-1-benzofuran-6-yl]-N-methyl-2-oxopyrrolidine-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]+	440.16164	202.9
[M+Na]+	462.14358	210.2
[M-H]-	438.14708	212.0
[M+NH4]+	457.18818	213.1
[M+K]+	478.11752	206.6
[M+H-H2O]+	422.15162	194.3
[M+HCOO]-	484.15256	222.0
[M+CH3COO]-	498.16821	234.0
[M+Na-2H]-	460.12903	199.5
[M]+	439.15381	205.1
[M]-	439.15491	205.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.16164

202.9

[M+Na]+

462.14358

210.2

[M-H]-

438.14708

212.0

[M+NH4]+

457.18818

213.1

[M+K]+

478.11752

206.6

[M+H-H2O]+

422.15162

194.3

[M+HCOO]-

484.15256

222.0

[M+CH3COO]-

498.16821

234.0

[M+Na-2H]-

460.12903

199.5

[M]+

439.15381

205.1

[M]-

439.15491

205.1

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

Schembl2836755

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe