CID 3054986

1-methyl-2,3,6-triphenylpiperidin-4-one

Structural Information

Molecular Formula
C24H23NO
SMILES
CN1C(CC(=O)C(C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H23NO/c1-25-21(18-11-5-2-6-12-18)17-22(26)23(19-13-7-3-8-14-19)24(25)20-15-9-4-10-16-20/h2-16,21,23-24H,17H2,1H3
InChIKey
OOWZAYCDGJZCBD-UHFFFAOYSA-N
Compound name
1-methyl-2,3,6-triphenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.17798 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.185256 185.0
[M+Na]+ 364.167198 190.5
[M-H]- 340.170704 195.3
[M+NH4]+ 359.211803 195.9
[M+K]+ 380.141138 183.4
[M+H-H2O]+ 324.175240 173.2
[M+HCOO]- 386.176181 202.9
[M+CH3COO]- 400.191831 194.3
[M+Na-2H]- 362.152646 186.2
[M]+ 341.17743142 180.1
[M]- 341.17852858 180.1
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.