CID 486836

2(1h)-pyridinone, 3-(dimethylamino)-4-(3,5-dimethylphenyl)methyl-5-ethyl-1,6-dimethyl-

Structural Information

Molecular Formula
C20H28N2O
SMILES
CCC1=C(N(C(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(C)C)C)C
InChI
InChI=1S/C20H28N2O/c1-8-17-15(4)22(7)20(23)19(21(5)6)18(17)12-16-10-13(2)9-14(3)11-16/h9-11H,8,12H2,1-7H3
InChIKey
MIXANODWJIXIPU-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,6-dimethylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 176.1
[M+Na]+ 335.20937 186.2
[M-H]- 311.21287 184.1
[M+NH4]+ 330.25397 191.4
[M+K]+ 351.18331 182.3
[M+H-H2O]+ 295.21741 167.6
[M+HCOO]- 357.21835 199.0
[M+CH3COO]- 371.23400 220.6
[M+Na-2H]- 333.19482 175.7
[M]+ 312.21960 182.0
[M]- 312.22070 182.0
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.