CID 11633439

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

Structural Information

Molecular Formula
C26H27NO3S
SMILES
CC1=CC=C(C=C1)SC2C(NC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H27NO3S/c1-17-4-14-22(15-5-17)31-26-24(28)16-23(18-6-10-20(29-2)11-7-18)27-25(26)19-8-12-21(30-3)13-9-19/h4-15,23,25-27H,16H2,1-3H3
InChIKey
JUUCMKDUYKGCGE-UHFFFAOYSA-N
Compound name
2,6-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.17117 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17845 205.6
[M+Na]+ 456.16039 211.4
[M-H]- 432.16389 214.9
[M+NH4]+ 451.20499 213.2
[M+K]+ 472.13433 204.0
[M+H-H2O]+ 416.16843 194.5
[M+HCOO]- 478.16937 217.1
[M+CH3COO]- 492.18502 213.2
[M+Na-2H]- 454.14584 202.5
[M]+ 433.17062 205.8
[M]- 433.17172 205.8
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.