CID 486844

Chembl363066

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 172.9
[M+Na]+ 321.19372 182.1
[M-H]- 297.19722 179.2
[M+NH4]+ 316.23832 187.7
[M+K]+ 337.16766 177.4
[M+H-H2O]+ 281.20176 164.6
[M+HCOO]- 343.20270 194.6
[M+CH3COO]- 357.21835 213.9
[M+Na-2H]- 319.17917 173.2
[M]+ 298.20395 176.1
[M]- 298.20505 176.1
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.