CID 3038920

Piperidine, 1-((4-benzoylphenoxy)acetyl)-

Structural Information

Molecular Formula
C20H21NO3
SMILES
C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO3/c22-19(21-13-5-2-6-14-21)15-24-18-11-9-17(10-12-18)20(23)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-15H2
InChIKey
KQYSIFIPXCMPLJ-UHFFFAOYSA-N
Compound name
2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 177.0
[M+Na]+ 346.14135 179.7
[M-H]- 322.14485 183.7
[M+NH4]+ 341.18595 188.2
[M+K]+ 362.11529 175.8
[M+H-H2O]+ 306.14939 166.5
[M+HCOO]- 368.15033 193.9
[M+CH3COO]- 382.16598 206.3
[M+Na-2H]- 344.12680 178.2
[M]+ 323.15158 173.4
[M]- 323.15268 173.4
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.