CID 11697808

3-(4-chlorophenyl)sulfanyl-1-methyl-2,6-bis(p-tolyl)piperidin-4-one

Structural Information

Molecular Formula
C26H26ClNOS
SMILES
CC1=CC=C(C=C1)C2CC(=O)C(C(N2C)C3=CC=C(C=C3)C)SC4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H26ClNOS/c1-17-4-8-19(9-5-17)23-16-24(29)26(30-22-14-12-21(27)13-15-22)25(28(23)3)20-10-6-18(2)7-11-20/h4-15,23,25-26H,16H2,1-3H3
InChIKey
YYILYRPCFGWRMC-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfanyl-1-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.14236 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.14964 205.5
[M+Na]+ 458.13158 213.8
[M-H]- 434.13508 216.4
[M+NH4]+ 453.17618 215.3
[M+K]+ 474.10552 204.7
[M+H-H2O]+ 418.13962 195.1
[M+HCOO]- 480.14056 213.6
[M+CH3COO]- 494.15621 214.1
[M+Na-2H]- 456.11703 201.1
[M]+ 435.14181 207.5
[M]- 435.14291 207.5
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.