CID 3021608

3-((4,6-diacetyl-7-benzofuranyl)oxy)-n,n,2-trimethyl-1-propylamine hydrochloride

Structural Information

Molecular Formula
C18H23NO4
SMILES
CC(CN(C)C)COC1=C(C=C(C2=C1OC=C2)C(=O)C)C(=O)C
InChI
InChI=1S/C18H23NO4/c1-11(9-19(4)5)10-23-18-16(13(3)21)8-15(12(2)20)14-6-7-22-17(14)18/h6-8,11H,9-10H2,1-5H3
InChIKey
HFOSROIRABLFSC-UHFFFAOYSA-N
Compound name
1-[6-acetyl-7-[3-(dimethylamino)-2-methylpropoxy]-1-benzofuran-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 176.5
[M+Na]+ 340.151938 183.8
[M-H]- 316.155444 183.5
[M+NH4]+ 335.196543 193.1
[M+K]+ 356.125878 183.9
[M+H-H2O]+ 300.159980 169.9
[M+HCOO]- 362.160921 198.8
[M+CH3COO]- 376.176571 216.6
[M+Na-2H]- 338.137386 176.5
[M]+ 317.16217142 185.3
[M]- 317.16326858 185.3
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.