CID 17039604

892874-55-4

Structural Information

Molecular Formula
C15H14ClNO4
SMILES
CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)Cl)C(=O)OCC
InChI
InChI=1S/C15H14ClNO4/c1-3-20-14(18)11-7-9-5-6-10(16)8-12(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChIKey
JQWWQBNHGCCJHZ-UHFFFAOYSA-N
Compound name
diethyl 7-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 165.0
[M+Na]+ 330.05035 174.6
[M-H]- 306.05385 168.4
[M+NH4]+ 325.09495 180.8
[M+K]+ 346.02429 170.8
[M+H-H2O]+ 290.05839 158.3
[M+HCOO]- 352.05933 180.8
[M+CH3COO]- 366.07498 203.6
[M+Na-2H]- 328.03580 168.6
[M]+ 307.06058 172.6
[M]- 307.06168 172.6
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.