CID 3016148

40034-49-9

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C3=CC(=NC(=C3)C)C
InChI
InChI=1S/C19H18N2O3/c1-4-24-19(23)16-10-20-17-9-13(5-6-15(17)18(16)22)14-7-11(2)21-12(3)8-14/h5-10H,4H2,1-3H3,(H,20,22)
InChIKey
YZZRTZDYWJVJCL-UHFFFAOYSA-N
Compound name
ethyl 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

322.13174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 176.5
[M+Na]+ 345.120958 186.4
[M-H]- 321.124464 180.8
[M+NH4]+ 340.165563 188.7
[M+K]+ 361.094898 180.6
[M+H-H2O]+ 305.129000 167.0
[M+HCOO]- 367.129941 194.5
[M+CH3COO]- 381.145591 208.5
[M+Na-2H]- 343.106406 179.8
[M]+ 322.13119142 179.2
[M]- 322.13228858 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe