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]+ 328.169596 180.1
[M+Na]+ 350.151538 184.7
[M-H]- 326.155044 188.8
[M+NH4]+ 345.196143 190.6
[M+K]+ 366.125478 176.9
[M+H-H2O]+ 310.159580 168.8
[M+HCOO]- 372.160521 196.9
[M+CH3COO]- 386.176171 188.9
[M+Na-2H]- 348.136986 182.3
[M]+ 327.16177142 172.8
[M]- 327.16286858 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.