CID 304558

Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate

Structural Information

Molecular Formula
C13H12ClNO3
SMILES
CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)OC
InChI
InChI=1S/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
InChIKey
QURGQUFEJWWDRF-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

131
Patents

265.05057 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05785 154.4
[M+Na]+ 288.03979 165.0
[M-H]- 264.04329 158.1
[M+NH4]+ 283.08439 172.2
[M+K]+ 304.01373 161.1
[M+H-H2O]+ 248.04783 148.1
[M+HCOO]- 310.04877 171.5
[M+CH3COO]- 324.06442 196.1
[M+Na-2H]- 286.02524 160.2
[M]+ 265.05002 161.2
[M]- 265.05112 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe