CID 70653166

Phenol-dronedarone

Structural Information

Molecular Formula
C20H21NO5S
SMILES
CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H21NO5S/c1-3-4-5-18-19(20(23)13-6-9-15(22)10-7-13)16-12-14(21-27(2,24)25)8-11-17(16)26-18/h6-12,21-22H,3-5H2,1-2H3
InChIKey
WKFHEWCOYQNAQR-UHFFFAOYSA-N
Compound name
N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

387.11404 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12132 190.2
[M+Na]+ 410.10326 202.0
[M+NH4]+ 405.14786 196.1
[M+K]+ 426.07720 196.6
[M-H]- 386.10676 193.9
[M+Na-2H]- 408.08871 195.0
[M]+ 387.11349 193.4
[M]- 387.11459 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.