CID 4191660

2-(1-benzoyl-2-piperidyl)-2',5'-dimethoxyacetophenone

Structural Information

Molecular Formula
C22H25NO4
SMILES
COC1=CC(=C(C=C1)OC)C(=O)CC2CCCCN2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H25NO4/c1-26-18-11-12-21(27-2)19(15-18)20(24)14-17-10-6-7-13-23(17)22(25)16-8-4-3-5-9-16/h3-5,8-9,11-12,15,17H,6-7,10,13-14H2,1-2H3
InChIKey
GHWRCTUJRJTQAS-UHFFFAOYSA-N
Compound name
2-(1-benzoylpiperidin-2-yl)-1-(2,5-dimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.17834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 188.7
[M+Na]+ 390.16756 201.5
[M+NH4]+ 385.21216 195.1
[M+K]+ 406.14150 194.5
[M-H]- 366.17106 193.2
[M+Na-2H]- 388.15301 196.0
[M]+ 367.17779 191.7
[M]- 367.17889 191.7
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.