CID 3012812

Chembl182846

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C=C)N(C)C)C
InChI
InChI=1S/C19H22N2O2/c1-6-13-9-8-10-14(11-13)18(22)16-15(7-2)12(3)20-19(23)17(16)21(4)5/h6,8-11H,1,7H2,2-5H3,(H,20,23)
InChIKey
IWNFARYAMHARMM-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-(3-ethenylbenzoyl)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 173.4
[M+Na]+ 333.15734 181.8
[M-H]- 309.16084 179.5
[M+NH4]+ 328.20194 187.0
[M+K]+ 349.13128 177.0
[M+H-H2O]+ 293.16538 164.9
[M+HCOO]- 355.16632 194.7
[M+CH3COO]- 369.18197 214.1
[M+Na-2H]- 331.14279 173.4
[M]+ 310.16757 175.6
[M]- 310.16867 175.6
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.