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

2
Patents

315.25623 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.26351 180.4
[M+Na]+ 338.24545 185.2
[M-H]- 314.24895 184.9
[M+NH4]+ 333.29005 194.3
[M+K]+ 354.21939 181.2
[M+H-H2O]+ 298.25349 172.6
[M+HCOO]- 360.25443 194.7
[M+CH3COO]- 374.27008 213.1
[M+Na-2H]- 336.23090 178.8
[M]+ 315.25568 179.4
[M]- 315.25678 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