CID 3012790

Chembl188689

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)N(C)C)N(C)C)C
InChI
InChI=1S/C19H25N3O2/c1-7-15-12(2)20-19(24)17(22(5)6)16(15)18(23)13-9-8-10-14(11-13)21(3)4/h8-11H,7H2,1-6H3,(H,20,24)
InChIKey
JELYZMOUPFSGLJ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[3-(dimethylamino)benzoyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 179.2
[M+Na]+ 350.18389 186.5
[M-H]- 326.18739 186.6
[M+NH4]+ 345.22849 192.4
[M+K]+ 366.15783 183.8
[M+H-H2O]+ 310.19193 170.1
[M+HCOO]- 372.19287 201.8
[M+CH3COO]- 386.20852 223.3
[M+Na-2H]- 348.16934 178.8
[M]+ 327.19412 182.6
[M]- 327.19522 182.6
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.