CID 6320551

Chembl424772

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC(=C2)C)C)N(C)C)CO
InChI
InChI=1S/C19H24N2O3/c1-6-14-15(10-22)20-19(24)17(21(4)5)16(14)18(23)13-8-11(2)7-12(3)9-13/h7-9,22H,6,10H2,1-5H3,(H,20,24)
InChIKey
USAJKGCTDSCECL-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-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 178.2
[M+Na]+ 351.16790 186.6
[M-H]- 327.17140 183.3
[M+NH4]+ 346.21250 190.7
[M+K]+ 367.14184 182.4
[M+H-H2O]+ 311.17594 170.0
[M+HCOO]- 373.17688 198.0
[M+CH3COO]- 387.19253 216.0
[M+Na-2H]- 349.15335 177.0
[M]+ 328.17813 181.1
[M]- 328.17923 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.