CID 687496

301682-71-3

Structural Information

Molecular Formula
C22H23NO3
SMILES
CCOC1=CC2=C(C=C1)OC(=C2C(=O)N3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H23NO3/c1-2-25-17-11-12-19-18(15-17)20(22(24)23-13-7-4-8-14-23)21(26-19)16-9-5-3-6-10-16/h3,5-6,9-12,15H,2,4,7-8,13-14H2,1H3
InChIKey
FKGHSCOYHUWFOZ-UHFFFAOYSA-N
Compound name
(5-ethoxy-2-phenyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

349.1678 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 183.8
[M+Na]+ 372.15702 190.0
[M-H]- 348.16052 193.3
[M+NH4]+ 367.20162 196.3
[M+K]+ 388.13096 186.1
[M+H-H2O]+ 332.16506 174.1
[M+HCOO]- 394.16600 201.8
[M+CH3COO]- 408.18165 194.0
[M+Na-2H]- 370.14247 185.1
[M]+ 349.16725 184.5
[M]- 349.16835 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.