CID 24698979

Ethyl 4-chloro-6,8-dimethoxyquinoline-3-carboxylate

Structural Information

Molecular Formula
C14H14ClNO4
SMILES
CCOC(=O)C1=CN=C2C(=CC(=CC2=C1Cl)OC)OC
InChI
InChI=1S/C14H14ClNO4/c1-4-20-14(17)10-7-16-13-9(12(10)15)5-8(18-2)6-11(13)19-3/h5-7H,4H2,1-3H3
InChIKey
DSGVVCRDDXQCTD-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6,8-dimethoxyquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.06113 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06841 161.4
[M+Na]+ 318.05035 172.3
[M-H]- 294.05385 165.3
[M+NH4]+ 313.09495 178.2
[M+K]+ 334.02429 168.9
[M+H-H2O]+ 278.05839 154.9
[M+HCOO]- 340.05933 178.4
[M+CH3COO]- 354.07498 202.4
[M+Na-2H]- 316.03580 166.1
[M]+ 295.06058 170.5
[M]- 295.06168 170.5
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