CID 486892

Chembl174726

Structural Information

Molecular Formula
C20H28N2O
SMILES
CCCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(C)C)C
InChI
InChI=1S/C20H28N2O/c1-7-8-17-15(4)21-20(23)19(22(5)6)18(17)12-16-10-13(2)9-14(3)11-16/h9-11H,7-8,12H2,1-6H3,(H,21,23)
InChIKey
LRVAUDNAIRDUQD-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-6-methyl-5-propyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

312.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 177.5
[M+Na]+ 335.209368 186.2
[M-H]- 311.212874 183.7
[M+NH4]+ 330.253973 191.8
[M+K]+ 351.183308 181.3
[M+H-H2O]+ 295.217410 169.0
[M+HCOO]- 357.218351 198.9
[M+CH3COO]- 371.234001 216.8
[M+Na-2H]- 333.194816 177.3
[M]+ 312.21960142 181.1
[M]- 312.22069858 181.1
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.