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]+ 348.091656 180.3
[M+Na]+ 370.073598 189.4
[M-H]- 346.077104 186.3
[M+NH4]+ 365.118203 193.2
[M+K]+ 386.047538 180.7
[M+H-H2O]+ 330.081640 172.4
[M+HCOO]- 392.082581 187.7
[M+CH3COO]- 406.098231 190.0
[M+Na-2H]- 368.059046 178.9
[M]+ 347.08383142 179.5
[M]- 347.08492858 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.