CID 219161

Ethyl 7-chloro-4-hydroxy-8-methylquinoline-3-carboxylate

Structural Information

Molecular Formula
C13H12ClNO3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2C)Cl
InChI
InChI=1S/C13H12ClNO3/c1-3-18-13(17)9-6-15-11-7(2)10(14)5-4-8(11)12(9)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKey
HOKMOQAMIGSWSJ-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-8-methyl-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

265.05057 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05785 153.7
[M+Na]+ 288.03979 165.0
[M-H]- 264.04329 156.4
[M+NH4]+ 283.08439 171.0
[M+K]+ 304.01373 159.7
[M+H-H2O]+ 248.04783 148.1
[M+HCOO]- 310.04877 169.5
[M+CH3COO]- 324.06442 194.2
[M+Na-2H]- 286.02524 158.3
[M]+ 265.05002 158.4
[M]- 265.05112 158.4
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

patents stripe