CID 12227149

Ethyl 4-chloro-7-methylquinoline-3-carboxylate

Structural Information

Molecular Formula
C13H12ClNO2
SMILES
CCOC(=O)C1=CN=C2C=C(C=CC2=C1Cl)C
InChI
InChI=1S/C13H12ClNO2/c1-3-17-13(16)10-7-15-11-6-8(2)4-5-9(11)12(10)14/h4-7H,3H2,1-2H3
InChIKey
OXNSYUQJYGBUAZ-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-7-methylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

249.05565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06293 151.8
[M+Na]+ 272.04487 167.5
[M+NH4]+ 267.08947 160.6
[M+K]+ 288.01881 159.6
[M-H]- 248.04837 154.2
[M+Na-2H]- 270.03032 158.8
[M]+ 249.05510 155.1
[M]- 249.05620 155.1
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