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 166.8
[M+Na]+ 312.12062 175.2
[M-H]- 288.12412 174.0
[M+NH4]+ 307.16522 184.6
[M+K]+ 328.09456 175.2
[M+H-H2O]+ 272.12866 160.3
[M+HCOO]- 334.12960 190.8
[M+CH3COO]- 348.14525 209.7
[M+Na-2H]- 310.10607 169.0
[M]+ 289.13085 175.5
[M]- 289.13195 175.5
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.