CID 17039607

8-chloroquinoline-2,3-dicarboxylic acid diethyl ester

Structural Information

Molecular Formula
C15H14ClNO4
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C=CC=C2Cl)C(=O)OCC
InChI
InChI=1S/C15H14ClNO4/c1-3-20-14(18)10-8-9-6-5-7-11(16)12(9)17-13(10)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChIKey
YBUQJEUWEYOPBG-UHFFFAOYSA-N
Compound name
diethyl 8-chloroquinoline-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.06113 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06841 165.4
[M+Na]+ 330.05035 179.5
[M+NH4]+ 325.09495 172.4
[M+K]+ 346.02429 173.0
[M-H]- 306.05385 166.3
[M+Na-2H]- 328.03580 170.5
[M]+ 307.06058 167.9
[M]- 307.06168 167.9
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

No patent data available for this compound.