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]+ 304.15434 171.7
[M+Na]+ 326.13628 179.7
[M-H]- 302.13978 178.7
[M+NH4]+ 321.18088 188.9
[M+K]+ 342.11022 179.4
[M+H-H2O]+ 286.14432 165.0
[M+HCOO]- 348.14526 195.3
[M+CH3COO]- 362.16091 212.7
[M+Na-2H]- 324.12173 173.4
[M]+ 303.14651 180.7
[M]- 303.14761 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.