CID 16644472

Ethyl 4-amino-6-methoxyquinoline-3-carboxylate

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)OC
InChI
InChI=1S/C13H14N2O3/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,(H2,14,15)
InChIKey
KWSSHDCTTIZJJQ-UHFFFAOYSA-N
Compound name
ethyl 4-amino-6-methoxyquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

246.10045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.0
[M+Na]+ 269.08967 162.9
[M-H]- 245.09317 157.3
[M+NH4]+ 264.13427 171.0
[M+K]+ 285.06361 160.4
[M+H-H2O]+ 229.09771 146.6
[M+HCOO]- 291.09865 176.1
[M+CH3COO]- 305.11430 196.8
[M+Na-2H]- 267.07512 159.5
[M]+ 246.09990 157.0
[M]- 246.10100 157.0
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