CID 3006921

Ethyl 6-chloro-1-ethyl-4-oxo-quinoline-3-carboxylate

Structural Information

Molecular Formula
C14H14ClNO3
SMILES
CCN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C(=O)OCC
InChI
InChI=1S/C14H14ClNO3/c1-3-16-8-11(14(18)19-4-2)13(17)10-7-9(15)5-6-12(10)16/h5-8H,3-4H2,1-2H3
InChIKey
IKKRQORRDJUAJN-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.06622 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07350 157.9
[M+Na]+ 302.05544 169.2
[M-H]- 278.05894 161.8
[M+NH4]+ 297.10004 175.3
[M+K]+ 318.02938 164.5
[M+H-H2O]+ 262.06348 151.7
[M+HCOO]- 324.06442 174.8
[M+CH3COO]- 338.08007 199.6
[M+Na-2H]- 300.04089 162.4
[M]+ 279.06567 164.8
[M]- 279.06677 164.8
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.