CID 204095

1-(3-(p-tert-butylphenyl)-2-methylpropyl)-3,5-dimethyl-4-piperidinone

Structural Information

Molecular Formula
C21H33NO
SMILES
CC1CN(CC(C1=O)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C21H33NO/c1-15(12-22-13-16(2)20(23)17(3)14-22)11-18-7-9-19(10-8-18)21(4,5)6/h7-10,15-17H,11-14H2,1-6H3
InChIKey
BKOSVQKCVIHPCB-UHFFFAOYSA-N
Compound name
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3,5-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

315.25623 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.263506 180.4
[M+Na]+ 338.245448 185.2
[M-H]- 314.248954 184.9
[M+NH4]+ 333.290053 194.3
[M+K]+ 354.219388 181.2
[M+H-H2O]+ 298.253490 172.6
[M+HCOO]- 360.254431 194.7
[M+CH3COO]- 374.270081 213.1
[M+Na-2H]- 336.230896 178.8
[M]+ 315.25568142 179.4
[M]- 315.25677858 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe