CID 11494782

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

Structural Information

Molecular Formula
C25H25NOS
SMILES
CC1=CC=C(C=C1)C2CC(=O)C(C(N2)C3=CC=C(C=C3)C)SC4=CC=CC=C4
InChI
InChI=1S/C25H25NOS/c1-17-8-12-19(13-9-17)22-16-23(27)25(28-21-6-4-3-5-7-21)24(26-22)20-14-10-18(2)11-15-20/h3-15,22,24-26H,16H2,1-2H3
InChIKey
YIEQKLGFICIHOW-UHFFFAOYSA-N
Compound name
2,6-bis(4-methylphenyl)-3-phenylsulfanylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.16568 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17296 194.1
[M+Na]+ 410.15490 200.2
[M-H]- 386.15840 203.3
[M+NH4]+ 405.19950 203.7
[M+K]+ 426.12884 191.4
[M+H-H2O]+ 370.16294 183.6
[M+HCOO]- 432.16388 205.8
[M+CH3COO]- 446.17953 202.3
[M+Na-2H]- 408.14035 191.8
[M]+ 387.16513 190.9
[M]- 387.16623 190.9
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.