CID 4583854

618080-11-8

Structural Information

Molecular Formula
C23H26N2O4S
SMILES
CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)C
InChI
InChI=1S/C23H26N2O4S/c1-3-18-8-6-7-15-25(18)30(27,28)19-13-11-17(12-14-19)24-23(26)22-16(2)20-9-4-5-10-21(20)29-22/h4-5,9-14,18H,3,6-8,15H2,1-2H3,(H,24,26)
InChIKey
XUELKORVLQLLAA-UHFFFAOYSA-N
Compound name
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-methyl-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.16132 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16860 199.1
[M+Na]+ 449.15054 211.4
[M+NH4]+ 444.19514 205.6
[M+K]+ 465.12448 205.1
[M-H]- 425.15404 205.1
[M+Na-2H]- 447.13599 205.5
[M]+ 426.16077 203.0
[M]- 426.16187 203.0
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.