CID 727468

Ethyl 4-chloro-6-ethoxyquinoline-3-carboxylate

Structural Information

Molecular Formula
C14H14ClNO3
SMILES
CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)Cl
InChI
InChI=1S/C14H14ClNO3/c1-3-18-9-5-6-12-10(7-9)13(15)11(8-16-12)14(17)19-4-2/h5-8H,3-4H2,1-2H3
InChIKey
SSOGSEBLCQKKNR-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-ethoxyquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

279.06622 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07350 159.2
[M+Na]+ 302.05544 169.3
[M-H]- 278.05894 162.6
[M+NH4]+ 297.10004 176.3
[M+K]+ 318.02938 165.2
[M+H-H2O]+ 262.06348 152.6
[M+HCOO]- 324.06442 175.9
[M+CH3COO]- 338.08007 199.1
[M+Na-2H]- 300.04089 164.4
[M]+ 279.06567 166.3
[M]- 279.06677 166.3
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