CID 24838096

Ethylamine, 2-((4,6-diacetyl-7-benzofuranyl)oxy)-n,n-dimethyl-, 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]+ 290.138676 166.8
[M+Na]+ 312.120618 175.2
[M-H]- 288.124124 174.0
[M+NH4]+ 307.165223 184.6
[M+K]+ 328.094558 175.2
[M+H-H2O]+ 272.128660 160.3
[M+HCOO]- 334.129601 190.8
[M+CH3COO]- 348.145251 209.7
[M+Na-2H]- 310.106066 169.0
[M]+ 289.13085142 175.5
[M]- 289.13194858 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.