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 176.5
[M+Na]+ 340.15194 183.8
[M-H]- 316.15544 183.5
[M+NH4]+ 335.19654 193.1
[M+K]+ 356.12588 183.9
[M+H-H2O]+ 300.15998 169.9
[M+HCOO]- 362.16092 198.8
[M+CH3COO]- 376.17657 216.6
[M+Na-2H]- 338.13739 176.5
[M]+ 317.16217 185.3
[M]- 317.16327 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.