CID 11581558

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

Structural Information

Molecular Formula
C24H23NOS
SMILES
CC1=CC=C(C=C1)SC2C(NC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H23NOS/c1-17-12-14-20(15-13-17)27-24-22(26)16-21(18-8-4-2-5-9-18)25-23(24)19-10-6-3-7-11-19/h2-15,21,23-25H,16H2,1H3
InChIKey
NKNKKRMIZWSFNX-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)sulfanyl-2,6-diphenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.15002 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15730 189.6
[M+Na]+ 396.13924 195.3
[M-H]- 372.14274 198.6
[M+NH4]+ 391.18384 199.5
[M+K]+ 412.11318 186.7
[M+H-H2O]+ 356.14728 179.2
[M+HCOO]- 418.14822 201.7
[M+CH3COO]- 432.16387 197.9
[M+Na-2H]- 394.12469 188.6
[M]+ 373.14947 185.6
[M]- 373.15057 185.6
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.