CID 16728066

Chembl233878

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCC1=C(NC(=O)C(=C1OC2=CC(=CC(=C2)C)C)C(=O)N(C)C)C
InChI
InChI=1S/C19H24N2O3/c1-7-15-13(4)20-18(22)16(19(23)21(5)6)17(15)24-14-9-11(2)8-12(3)10-14/h8-10H,7H2,1-6H3,(H,20,22)
InChIKey
UJQHHOXMNXYRCB-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylphenoxy)-5-ethyl-N,N,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.17868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 177.8
[M+Na]+ 351.16790 186.7
[M-H]- 327.17140 184.3
[M+NH4]+ 346.21250 191.1
[M+K]+ 367.14184 183.3
[M+H-H2O]+ 311.17594 169.3
[M+HCOO]- 373.17688 199.1
[M+CH3COO]- 387.19253 217.7
[M+Na-2H]- 349.15335 177.1
[M]+ 328.17813 182.4
[M]- 328.17923 182.4
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.