CID 3012808

Chembl180248

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C(C)O)N(C)C)C
InChI
InChI=1S/C19H24N2O3/c1-6-15-11(2)20-19(24)17(21(4)5)16(15)18(23)14-9-7-8-13(10-14)12(3)22/h7-10,12,22H,6H2,1-5H3,(H,20,24)
InChIKey
AZXNIAHLDRYTRR-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-4-[3-(1-hydroxyethyl)benzoyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.17868 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 178.0
[M+Na]+ 351.16790 185.2
[M-H]- 327.17140 182.8
[M+NH4]+ 346.21250 190.1
[M+K]+ 367.14184 181.5
[M+H-H2O]+ 311.17594 169.8
[M+HCOO]- 373.17688 196.8
[M+CH3COO]- 387.19253 215.7
[M+Na-2H]- 349.15335 176.4
[M]+ 328.17813 179.9
[M]- 328.17923 179.9
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.