CID 3016145

40034-41-1

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C3=CC=NC=C3
InChI
InChI=1S/C17H14N2O3/c1-2-22-17(21)14-10-19-15-9-12(3-4-13(15)16(14)20)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,19,20)
InChIKey
MZESMDMSRBNRBO-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

294.10043 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.107706 167.0
[M+Na]+ 317.089648 176.0
[M-H]- 293.093154 170.9
[M+NH4]+ 312.134253 179.7
[M+K]+ 333.063588 170.5
[M+H-H2O]+ 277.097690 157.5
[M+HCOO]- 339.098631 185.7
[M+CH3COO]- 353.114281 177.9
[M+Na-2H]- 315.075096 172.9
[M]+ 294.09988142 168.2
[M]- 294.10097858 168.2
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