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]+ 318.17000 174.2
[M+Na]+ 340.15194 184.6
[M+NH4]+ 335.19654 180.3
[M+K]+ 356.12588 182.3
[M-H]- 316.15544 176.6
[M+Na-2H]- 338.13739 176.8
[M]+ 317.16217 176.1
[M]- 317.16327 176.1
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.