PubChemLite - Vilazodone (C26H27N5O2)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N

InChI

InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)

InChIKey

SGEGOXDYSFKCPT-UHFFFAOYSA-N

Compound name

5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-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]+	442.22374	213.0
[M+Na]+	464.20568	225.4
[M+NH4]+	459.25028	215.6
[M+K]+	480.17962	217.6
[M-H]-	440.20918	210.9
[M+Na-2H]-	462.19113	214.2
[M]+	441.21591	213.3
[M]-	441.21701	213.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.22374

213.0

[M+Na]+

464.20568

225.4

[M+NH4]+

459.25028

215.6

[M+K]+

480.17962

217.6

[M-H]-

440.20918

210.9

[M+Na-2H]-

462.19113

214.2

[M]+

441.21591

213.3

[M]-

441.21701

213.3

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

Vilazodone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe