CID 3054986

71864-80-7

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]+ 342.18526 185.0
[M+Na]+ 364.16720 190.5
[M-H]- 340.17070 195.3
[M+NH4]+ 359.21180 195.9
[M+K]+ 380.14114 183.4
[M+H-H2O]+ 324.17524 173.2
[M+HCOO]- 386.17618 202.9
[M+CH3COO]- 400.19183 194.3
[M+Na-2H]- 362.15265 186.2
[M]+ 341.17743 180.1
[M]- 341.17853 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.