CID 478700

Chembl40320

Structural Information

Molecular Formula
C18H17N3O3
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)NOC
InChI
InChI=1S/C18H17N3O3/c1-3-21-11-15(18(23)20-24-2)17(22)14-5-4-13(10-16(14)21)12-6-8-19-9-7-12/h4-11H,3H2,1-2H3,(H,20,23)
InChIKey
DYDKJWCWLLSKPU-UHFFFAOYSA-N
Compound name
1-ethyl-N-methoxy-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.12698 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.134256 175.3
[M+Na]+ 346.116198 184.2
[M-H]- 322.119704 180.7
[M+NH4]+ 341.160803 187.4
[M+K]+ 362.090138 179.4
[M+H-H2O]+ 306.124240 165.1
[M+HCOO]- 368.125181 196.2
[M+CH3COO]- 382.140831 211.7
[M+Na-2H]- 344.101646 180.9
[M]+ 323.12643142 178.4
[M]- 323.12752858 178.4
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.