CID 478712

Chembl42138

Structural Information

Molecular Formula
C19H18N4O
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C4=NCCN4
InChI
InChI=1S/C19H18N4O/c1-2-23-12-16(19-21-9-10-22-19)18(24)15-4-3-14(11-17(15)23)13-5-7-20-8-6-13/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)
InChIKey
VAKKPMHBQGXXNS-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-7-pyridin-4-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.14807 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 177.4
[M+Na]+ 341.13729 186.8
[M-H]- 317.14079 181.8
[M+NH4]+ 336.18189 188.1
[M+K]+ 357.11123 178.7
[M+H-H2O]+ 301.14533 166.0
[M+HCOO]- 363.14627 193.7
[M+CH3COO]- 377.16192 187.0
[M+Na-2H]- 339.12274 180.4
[M]+ 318.14752 176.0
[M]- 318.14862 176.0
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.