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]+ 313.22743 178.4
[M+Na]+ 335.20937 186.9
[M-H]- 311.21287 183.0
[M+NH4]+ 330.25397 192.0
[M+K]+ 351.18331 180.6
[M+H-H2O]+ 295.21741 170.0
[M+HCOO]- 357.21835 199.2
[M+CH3COO]- 371.23400 213.5
[M+Na-2H]- 333.19482 178.8
[M]+ 312.21960 180.7
[M]- 312.22070 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.