CID 486854

Chembl175655

Structural Information

Molecular Formula
C22H30N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)N3CCCCC3)C
InChI
InChI=1S/C22H30N2O/c1-5-19-17(4)23-22(25)21(24-9-7-6-8-10-24)20(19)14-18-12-15(2)11-16(3)13-18/h11-13H,5-10,14H2,1-4H3,(H,23,25)
InChIKey
ZIBGWUFZCISYDF-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-piperidin-1-yl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

338.2358 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 186.8
[M+Na]+ 361.22502 193.5
[M-H]- 337.22852 192.1
[M+NH4]+ 356.26962 197.4
[M+K]+ 377.19896 186.4
[M+H-H2O]+ 321.23306 176.4
[M+HCOO]- 383.23400 201.5
[M+CH3COO]- 397.24965 214.1
[M+Na-2H]- 359.21047 185.1
[M]+ 338.23525 183.9
[M]- 338.23635 183.9
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.