CID 478715

Chembl40582

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CCN1C2=C(C=CC(=C2)C3=CC=NC=C3)C(=O)C(=C1N)C(=O)N
InChI
InChI=1S/C17H16N4O2/c1-2-21-13-9-11(10-5-7-20-8-6-10)3-4-12(13)15(22)14(16(21)18)17(19)23/h3-9H,2,18H2,1H3,(H2,19,23)
InChIKey
WGQMNRQVAIDBRB-UHFFFAOYSA-N
Compound name
2-amino-1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

308.12732 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 173.2
[M+Na]+ 331.11654 182.8
[M-H]- 307.12004 178.2
[M+NH4]+ 326.16114 185.5
[M+K]+ 347.09048 177.0
[M+H-H2O]+ 291.12458 163.6
[M+HCOO]- 353.12552 194.0
[M+CH3COO]- 367.14117 212.7
[M+Na-2H]- 329.10199 177.0
[M]+ 308.12677 172.5
[M]- 308.12787 172.5
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

patents stripe