CID 478708

Chembl41810

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)NCCN(C)C
InChI
InChI=1S/C21H24N4O2/c1-4-25-14-18(21(27)23-11-12-24(2)3)20(26)17-6-5-16(13-19(17)25)15-7-9-22-10-8-15/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,27)
InChIKey
OPDIRJDTNYVDRY-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

364.1899 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 189.4
[M+Na]+ 387.17912 196.3
[M-H]- 363.18262 195.6
[M+NH4]+ 382.22372 200.1
[M+K]+ 403.15306 191.6
[M+H-H2O]+ 347.18716 178.3
[M+HCOO]- 409.18810 210.5
[M+CH3COO]- 423.20375 226.8
[M+Na-2H]- 385.16457 193.2
[M]+ 364.18935 192.6
[M]- 364.19045 192.6
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.