CID 6474174

Alpha-1-piperidylchalcone

Structural Information

Molecular Formula
C20H21NO
SMILES
C1CCN(CC1)/C(=C/C2=CC=CC=C2)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO/c22-20(18-12-6-2-7-13-18)19(21-14-8-3-9-15-21)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,16H,3,8-9,14-15H2/b19-16+
InChIKey
ZQKWCHUYLBUSDW-KNTRCKAVSA-N
Compound name
(E)-1,3-diphenyl-2-piperidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16232 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 170.8
[M+Na]+ 314.15154 172.9
[M-H]- 290.15504 177.0
[M+NH4]+ 309.19614 183.1
[M+K]+ 330.12548 167.6
[M+H-H2O]+ 274.15958 160.6
[M+HCOO]- 336.16052 187.3
[M+CH3COO]- 350.17617 179.6
[M+Na-2H]- 312.13699 172.6
[M]+ 291.16177 163.9
[M]- 291.16287 163.9
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.