CID 486962

Chembl175873

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(C)CCO)C
InChI
InChI=1S/C19H26N2O2/c1-5-16-14(3)20-19(23)18(21(4)9-10-22)17(16)12-15-8-6-7-13(2)11-15/h6-8,11,22H,5,9-10,12H2,1-4H3,(H,20,23)
InChIKey
PGCWVKQUBZQNGJ-UHFFFAOYSA-N
Compound name
5-ethyl-3-[2-hydroxyethyl(methyl)amino]-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

314.19943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 177.2
[M+Na]+ 337.18865 184.8
[M-H]- 313.19215 181.7
[M+NH4]+ 332.23325 190.2
[M+K]+ 353.16259 179.9
[M+H-H2O]+ 297.19669 168.7
[M+HCOO]- 359.19763 197.6
[M+CH3COO]- 373.21328 212.3
[M+Na-2H]- 335.17410 177.7
[M]+ 314.19888 179.5
[M]- 314.19998 179.5
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.