CID 11596925

2,6-bis(4-methoxyphenyl)-3-phenylsulfanyl-piperidin-4-one

Structural Information

Molecular Formula
C25H25NO3S
SMILES
COC1=CC=C(C=C1)C2CC(=O)C(C(N2)C3=CC=C(C=C3)OC)SC4=CC=CC=C4
InChI
InChI=1S/C25H25NO3S/c1-28-19-12-8-17(9-13-19)22-16-23(27)25(30-21-6-4-3-5-7-21)24(26-22)18-10-14-20(29-2)15-11-18/h3-15,22,24-26H,16H2,1-2H3
InChIKey
ZCUZQCYYTMNQKR-UHFFFAOYSA-N
Compound name
2,6-bis(4-methoxyphenyl)-3-phenylsulfanylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.15552 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16280 201.1
[M+Na]+ 442.14474 206.6
[M-H]- 418.14824 210.2
[M+NH4]+ 437.18934 209.0
[M+K]+ 458.11868 199.3
[M+H-H2O]+ 402.15278 190.0
[M+HCOO]- 464.15372 213.0
[M+CH3COO]- 478.16937 208.8
[M+Na-2H]- 440.13019 199.1
[M]+ 419.15497 200.5
[M]- 419.15607 200.5
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.