CID 11690332

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

Structural Information

Molecular Formula
C25H24ClNOS
SMILES
CC1=CC=C(C=C1)C2CC(=O)C(C(N2)C3=CC=C(C=C3)C)SC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H24ClNOS/c1-16-3-7-18(8-4-16)22-15-23(28)25(29-21-13-11-20(26)12-14-21)24(27-22)19-9-5-17(2)6-10-19/h3-14,22,24-25,27H,15H2,1-2H3
InChIKey
BZDPJUWMODMZMX-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfanyl-2,6-bis(4-methylphenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.1267 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.13398 200.6
[M+Na]+ 444.11592 208.2
[M-H]- 420.11942 210.0
[M+NH4]+ 439.16052 210.0
[M+K]+ 460.08986 198.4
[M+H-H2O]+ 404.12396 190.7
[M+HCOO]- 466.12490 207.7
[M+CH3COO]- 480.14055 208.7
[M+Na-2H]- 442.10137 197.2
[M]+ 421.12615 200.2
[M]- 421.12725 200.2
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.