CID 486903

Chembl424972

Structural Information

Molecular Formula
C20H28N2O
SMILES
CCCNC1=C(C(=C(NC1=O)C)CC)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C20H28N2O/c1-6-8-21-19-18(17(7-2)15(5)22-20(19)23)12-16-10-13(3)9-14(4)11-16/h9-11,21H,6-8,12H2,1-5H3,(H,22,23)
InChIKey
ZGZUTVMOEPZIBL-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-(propylamino)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

312.22015 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 178.4
[M+Na]+ 335.209368 186.9
[M-H]- 311.212874 183.0
[M+NH4]+ 330.253973 192.0
[M+K]+ 351.183308 180.6
[M+H-H2O]+ 295.217410 170.0
[M+HCOO]- 357.218351 199.2
[M+CH3COO]- 371.234001 213.5
[M+Na-2H]- 333.194816 178.8
[M]+ 312.21960142 180.7
[M]- 312.22069858 180.7
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.