CID 486902

Chembl174339

Structural Information

Molecular Formula
C19H26N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NCC)C
InChI
InChI=1S/C19H26N2O/c1-6-16-14(5)21-19(22)18(20-7-2)17(16)11-15-9-12(3)8-13(4)10-15/h8-10,20H,6-7,11H2,1-5H3,(H,21,22)
InChIKey
KEKRHNKYGGKUCC-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-(ethylamino)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 173.9
[M+Na]+ 321.19372 182.9
[M-H]- 297.19722 178.7
[M+NH4]+ 316.23832 188.1
[M+K]+ 337.16766 176.8
[M+H-H2O]+ 281.20176 165.7
[M+HCOO]- 343.20270 195.1
[M+CH3COO]- 357.21835 210.5
[M+Na-2H]- 319.17917 174.8
[M]+ 298.20395 175.8
[M]- 298.20505 175.8
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.