CID 11583311

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

Structural Information

Molecular Formula
C25H24ClNO3S
SMILES
COC1=CC=C(C=C1)C2CC(=O)C(C(N2)C3=CC=C(C=C3)OC)SC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H24ClNO3S/c1-29-19-9-3-16(4-10-19)22-15-23(28)25(31-21-13-7-18(26)8-14-21)24(27-22)17-5-11-20(30-2)12-6-17/h3-14,22,24-25,27H,15H2,1-2H3
InChIKey
ZDLDUHAIKYQKOX-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfanyl-2,6-bis(4-methoxyphenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

453.11655 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.12383 206.9
[M+Na]+ 476.10577 213.8
[M-H]- 452.10927 216.3
[M+NH4]+ 471.15037 214.7
[M+K]+ 492.07971 205.6
[M+H-H2O]+ 436.11381 196.6
[M+HCOO]- 498.11475 214.3
[M+CH3COO]- 512.13040 214.6
[M+Na-2H]- 474.09122 203.9
[M]+ 453.11600 209.2
[M]- 453.11710 209.2
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.