CID 486973

Chembl187891

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=C(C=C2)OC)C)N(C)C)C
InChI
InChI=1S/C19H26N2O2/c1-7-15-13(3)20-19(22)18(21(4)5)16(15)11-14-8-9-17(23-6)12(2)10-14/h8-10H,7,11H2,1-6H3,(H,20,22)
InChIKey
ZYJDIMSCMZHSES-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-4-[(4-methoxy-3-methylphenyl)methyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 176.4
[M+Na]+ 337.18865 185.3
[M-H]- 313.19215 182.7
[M+NH4]+ 332.23325 190.4
[M+K]+ 353.16259 181.3
[M+H-H2O]+ 297.19669 167.8
[M+HCOO]- 359.19763 198.3
[M+CH3COO]- 373.21328 216.0
[M+Na-2H]- 335.17410 176.7
[M]+ 314.19888 181.0
[M]- 314.19998 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

literature stripe

Patent stripe

No patent data available for this compound.