CID 11524181

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

Structural Information

Molecular Formula
C26H27NOS
SMILES
CC1=CC=C(C=C1)C2CC(=O)C(C(N2)C3=CC=C(C=C3)C)SC4=CC=C(C=C4)C
InChI
InChI=1S/C26H27NOS/c1-17-4-10-20(11-5-17)23-16-24(28)26(29-22-14-8-19(3)9-15-22)25(27-23)21-12-6-18(2)7-13-21/h4-15,23,25-27H,16H2,1-3H3
InChIKey
YQVRIUWEPJCMIJ-UHFFFAOYSA-N
Compound name
2,6-bis(4-methylphenyl)-3-(4-methylphenyl)sulfanylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.18134 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18862 198.5
[M+Na]+ 424.17056 205.0
[M-H]- 400.17406 207.9
[M+NH4]+ 419.21516 207.8
[M+K]+ 440.14450 196.1
[M+H-H2O]+ 384.17860 187.9
[M+HCOO]- 446.17954 209.7
[M+CH3COO]- 460.19519 206.6
[M+Na-2H]- 422.15601 195.0
[M]+ 401.18079 196.0
[M]- 401.18189 196.0
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.