CID 3021610

Piperidine, 1-(2-((4,6-diacetyl-7-benzofuranyl)oxy)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H23NO4
SMILES
CC(=O)C1=CC(=C(C2=C1C=CO2)OCCN3CCCCC3)C(=O)C
InChI
InChI=1S/C19H23NO4/c1-13(21)16-12-17(14(2)22)19(18-15(16)6-10-23-18)24-11-9-20-7-4-3-5-8-20/h6,10,12H,3-5,7-9,11H2,1-2H3
InChIKey
ADFLEFUNENXJIF-UHFFFAOYSA-N
Compound name
1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 176.9
[M+Na]+ 352.15194 188.6
[M+NH4]+ 347.19654 183.5
[M+K]+ 368.12588 184.7
[M-H]- 328.15544 180.4
[M+Na-2H]- 350.13739 180.7
[M]+ 329.16217 179.4
[M]- 329.16327 179.4
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.