CID 486925

3-(dimethylamino)-5-ethyl-6-methyl-4-[(3-propylphenyl)methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula
C20H28N2O
SMILES
CCCC1=CC(=CC=C1)CC2=C(C(=O)NC(=C2CC)C)N(C)C
InChI
InChI=1S/C20H28N2O/c1-6-9-15-10-8-11-16(12-15)13-18-17(7-2)14(3)21-20(23)19(18)22(4)5/h8,10-12H,6-7,9,13H2,1-5H3,(H,21,23)
InChIKey
KSDYPUAGPQDMQP-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[(3-propylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 177.9
[M+Na]+ 335.20937 185.7
[M-H]- 311.21287 183.6
[M+NH4]+ 330.25397 191.9
[M+K]+ 351.18331 180.7
[M+H-H2O]+ 295.21741 169.2
[M+HCOO]- 357.21835 199.3
[M+CH3COO]- 371.23400 215.6
[M+Na-2H]- 333.19482 178.4
[M]+ 312.21960 181.0
[M]- 312.22070 181.0
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.