CID 3058980

Sulfamide, n-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-n'-methyl-, hydrochloride

Structural Information

Molecular Formula
C18H27N3O6S
SMILES
CNS(=O)(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C18H27N3O6S/c1-19-28(22,23)20-14-15(24-2)13-7-11-26-16(13)18(25-3)17(14)27-12-10-21-8-5-4-6-9-21/h7,11,19-20H,4-6,8-10,12H2,1-3H3
InChIKey
UGYKWHIQHCXTLW-UHFFFAOYSA-N
Compound name
4,7-dimethoxy-N-(methylsulfamoyl)-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.16205 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.16933 192.7
[M+Na]+ 436.15127 198.4
[M-H]- 412.15477 199.3
[M+NH4]+ 431.19587 203.2
[M+K]+ 452.12521 196.8
[M+H-H2O]+ 396.15931 184.8
[M+HCOO]- 458.16025 208.1
[M+CH3COO]- 472.17590 225.5
[M+Na-2H]- 434.13672 196.4
[M]+ 413.16150 200.1
[M]- 413.16260 200.1
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.