CID 481016

3-dimethylamino-4-(3,5-dimethylbenzyl)-5-ethyl-6-methylpyridin-2(1h)-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

7
References

17
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

patents stripe