CID 454797

Chembl173529

Structural Information

Molecular Formula
C19H20N2O
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=NC3=CC=CC=C3C=C2)C
InChI
InChI=1S/C19H20N2O/c1-3-14-12-16(19(22)20-13(14)2)9-11-17-10-8-15-6-4-5-7-18(15)21-17/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,22)
InChIKey
AXDMPGHDHQGFJU-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-(2-quinolin-2-ylethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.15756 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 171.1
[M+Na]+ 315.14678 180.5
[M-H]- 291.15028 174.9
[M+NH4]+ 310.19138 184.5
[M+K]+ 331.12072 173.2
[M+H-H2O]+ 275.15482 161.6
[M+HCOO]- 337.15576 189.6
[M+CH3COO]- 351.17141 181.8
[M+Na-2H]- 313.13223 176.2
[M]+ 292.15701 171.9
[M]- 292.15811 171.9
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.