CID 3079035

2,3,6-triphenyl-4-oxopiperidine

Structural Information

Molecular Formula
C23H21NO
SMILES
C1C(NC(C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H21NO/c25-21-16-20(17-10-4-1-5-11-17)24-23(19-14-8-3-9-15-19)22(21)18-12-6-2-7-13-18/h1-15,20,22-24H,16H2
InChIKey
VPPWKQCLUBXUKR-UHFFFAOYSA-N
Compound name
2,3,6-triphenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.16232 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16960 180.1
[M+Na]+ 350.15154 184.7
[M-H]- 326.15504 188.8
[M+NH4]+ 345.19614 190.6
[M+K]+ 366.12548 176.9
[M+H-H2O]+ 310.15958 168.8
[M+HCOO]- 372.16052 196.9
[M+CH3COO]- 386.17617 188.9
[M+Na-2H]- 348.13699 182.3
[M]+ 327.16177 172.8
[M]- 327.16287 172.8
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.