CID 3021606

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

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC(=O)C1=CC(=C(C2=C1C=CO2)OCCCN(C)C)C(=O)C
InChI
InChI=1S/C17H21NO4/c1-11(19)14-10-15(12(2)20)17(16-13(14)6-9-22-16)21-8-5-7-18(3)4/h6,9-10H,5,7-8H2,1-4H3
InChIKey
BDJPASINRIWFTJ-UHFFFAOYSA-N
Compound name
1-[6-acetyl-7-[3-(dimethylamino)propoxy]-1-benzofuran-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.154336 171.7
[M+Na]+ 326.136278 179.7
[M-H]- 302.139784 178.7
[M+NH4]+ 321.180883 188.9
[M+K]+ 342.110218 179.4
[M+H-H2O]+ 286.144320 165.0
[M+HCOO]- 348.145261 195.3
[M+CH3COO]- 362.160911 212.7
[M+Na-2H]- 324.121726 173.4
[M]+ 303.14651142 180.7
[M]- 303.14760858 180.7
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.