CID 6918314

Vilazodone

Structural Information

Molecular Formula
C26H27N5O2
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

compound 2d structure
8
Annotation Hits

188
References

3579
Patents

441.21646 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.223736 208.0
[M+Na]+ 464.205678 217.0
[M-H]- 440.209184 211.3
[M+NH4]+ 459.250283 214.2
[M+K]+ 480.179618 206.3
[M+H-H2O]+ 424.213720 190.5
[M+HCOO]- 486.214661 218.8
[M+CH3COO]- 500.230311 213.4
[M+Na-2H]- 462.191126 205.1
[M]+ 441.21591142 202.4
[M]- 441.21700858 202.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe