CID 3079037

2,6-bis(4-methoxyphenyl)-3-phenylpiperidin-4-one

Structural Information

Molecular Formula
C25H25NO3
SMILES
COC1=CC=C(C=C1)C2CC(=O)C(C(N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C25H25NO3/c1-28-20-12-8-17(9-13-20)22-16-23(27)24(18-6-4-3-5-7-18)25(26-22)19-10-14-21(29-2)15-11-19/h3-15,22,24-26H,16H2,1-2H3
InChIKey
QLTTYNSFKSHQIW-UHFFFAOYSA-N
Compound name
2,6-bis(4-methoxyphenyl)-3-phenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.18344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.19072 196.1
[M+Na]+ 410.17266 201.2
[M-H]- 386.17616 205.3
[M+NH4]+ 405.21726 204.5
[M+K]+ 426.14660 194.7
[M+H-H2O]+ 370.18070 184.2
[M+HCOO]- 432.18164 212.5
[M+CH3COO]- 446.19729 204.3
[M+Na-2H]- 408.15811 195.8
[M]+ 387.18289 193.0
[M]- 387.18399 193.0
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.