CID 2926058

3-methyl-n-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula
C22H24N2O4S
SMILES
CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)C
InChI
InChI=1S/C22H24N2O4S/c1-15-7-5-6-14-24(15)29(26,27)18-12-10-17(11-13-18)23-22(25)21-16(2)19-8-3-4-9-20(19)28-21/h3-4,8-13,15H,5-7,14H2,1-2H3,(H,23,25)
InChIKey
KUIUWCBEIIJQNL-UHFFFAOYSA-N
Compound name
3-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

412.1457 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15298 194.8
[M+Na]+ 435.13492 207.3
[M+NH4]+ 430.17952 201.5
[M+K]+ 451.10886 201.2
[M-H]- 411.13842 200.9
[M+Na-2H]- 433.12037 201.4
[M]+ 412.14515 198.7
[M]- 412.14625 198.7
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

No patent data available for this compound.