CID 2878950

2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-one

Structural Information

Molecular Formula
C19H19Cl2NO
SMILES
CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H19Cl2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-18,22H,1-2H3
InChIKey
HZJRRCMQPKSHRC-UHFFFAOYSA-N
Compound name
2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.08438 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09166 180.3
[M+Na]+ 370.07360 189.4
[M-H]- 346.07710 186.3
[M+NH4]+ 365.11820 193.2
[M+K]+ 386.04754 180.7
[M+H-H2O]+ 330.08164 172.4
[M+HCOO]- 392.08258 187.7
[M+CH3COO]- 406.09823 190.0
[M+Na-2H]- 368.05905 178.9
[M]+ 347.08383 179.5
[M]- 347.08493 179.5
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.