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 201.5
[M+Na]+ 449.15054 208.1
[M-H]- 425.15404 211.4
[M+NH4]+ 444.19514 211.5
[M+K]+ 465.12448 203.9
[M+H-H2O]+ 409.15858 193.1
[M+HCOO]- 471.15952 214.6
[M+CH3COO]- 485.17517 226.2
[M+Na-2H]- 447.13599 202.2
[M]+ 426.16077 204.6
[M]- 426.16187 204.6
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.