CID 4335897

374679-64-8

Structural Information

Molecular Formula
C13H12ClNO4
SMILES
CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)OC)Cl
InChI
InChI=1S/C13H12ClNO4/c1-3-19-13(17)8-6-15-10-5-9(14)11(18-2)4-7(10)12(8)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKey
LLIWHVZCTREOQE-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

281.04547 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05275 156.3
[M+Na]+ 304.03469 167.5
[M-H]- 280.03819 159.0
[M+NH4]+ 299.07929 172.9
[M+K]+ 320.00863 162.8
[M+H-H2O]+ 264.04273 150.4
[M+HCOO]- 326.04367 172.3
[M+CH3COO]- 340.05932 196.3
[M+Na-2H]- 302.02014 161.0
[M]+ 281.04492 162.5
[M]- 281.04602 162.5
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