CID 24838096

2-((4,6-diacetyl-7-benzofuranyl)oxy)-n,n-dimethylethylamine hydrochloride

Structural Information

Molecular Formula
C16H19NO4
SMILES
CC(=O)C1=CC(=C(C2=C1C=CO2)OCCN(C)C)C(=O)C
InChI
InChI=1S/C16H19NO4/c1-10(18)13-9-14(11(2)19)16(21-8-6-17(3)4)15-12(13)5-7-20-15/h5,7,9H,6,8H2,1-4H3
InChIKey
QYRZKCYZURXMIU-UHFFFAOYSA-N
Compound name
1-[6-acetyl-7-[2-(dimethylamino)ethoxy]-1-benzofuran-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 165.5
[M+Na]+ 312.12062 176.7
[M+NH4]+ 307.16522 172.1
[M+K]+ 328.09456 174.0
[M-H]- 288.12412 168.2
[M+Na-2H]- 310.10607 168.9
[M]+ 289.13085 167.7
[M]- 289.13195 167.7
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.