CID 47860

4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranamine dihydrochloride

Structural Information

Molecular Formula
C17H24N2O4
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCC3CCCCN3)N
InChI
InChI=1S/C17H24N2O4/c1-20-14-12-7-10-22-15(12)17(21-2)16(13(14)18)23-9-6-11-5-3-4-8-19-11/h7,10-11,19H,3-6,8-9,18H2,1-2H3
InChIKey
BHSYMJMTJXAVNW-UHFFFAOYSA-N
Compound name
4,7-dimethoxy-6-(2-piperidin-2-ylethoxy)-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 174.2
[M+Na]+ 343.16282 180.7
[M-H]- 319.16632 179.2
[M+NH4]+ 338.20742 187.6
[M+K]+ 359.13676 177.9
[M+H-H2O]+ 303.17086 166.0
[M+HCOO]- 365.17180 192.6
[M+CH3COO]- 379.18745 207.1
[M+Na-2H]- 341.14827 176.2
[M]+ 320.17305 175.9
[M]- 320.17415 175.9
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.