CID 486896

Chembl184880

Structural Information

Molecular Formula
C20H23N3O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=NC3=CC=CC=C23)N(C)C)C
InChI
InChI=1S/C20H23N3O/c1-5-15-13(2)22-20(24)19(23(3)4)17(15)12-14-10-11-21-18-9-7-6-8-16(14)18/h6-11H,5,12H2,1-4H3,(H,22,24)
InChIKey
XCNMLJAAODNFHW-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-(quinolin-4-ylmethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1841 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 179.7
[M+Na]+ 344.17332 188.6
[M-H]- 320.17682 185.0
[M+NH4]+ 339.21792 192.4
[M+K]+ 360.14726 182.6
[M+H-H2O]+ 304.18136 169.7
[M+HCOO]- 366.18230 199.3
[M+CH3COO]- 380.19795 215.9
[M+Na-2H]- 342.15877 183.3
[M]+ 321.18355 181.8
[M]- 321.18465 181.8
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.