CID 3012805

Chembl362435

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C(=O)C)N(C)C)C
InChI
InChI=1S/C19H22N2O3/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/h7-10H,6H2,1-5H3,(H,20,24)
InChIKey
TYMKDDIVBFLDGI-UHFFFAOYSA-N
Compound name
4-(3-acetylbenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.16306 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 175.9
[M+Na]+ 349.15228 183.8
[M-H]- 325.15578 182.0
[M+NH4]+ 344.19688 188.7
[M+K]+ 365.12622 180.3
[M+H-H2O]+ 309.16032 167.4
[M+HCOO]- 371.16126 196.4
[M+CH3COO]- 385.17691 217.2
[M+Na-2H]- 347.13773 174.8
[M]+ 326.16251 178.9
[M]- 326.16361 178.9
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.