CID 71652172

Ethyl 3-amino-6-chloroquinoline-2-carboxylate

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CCOC(=O)C1=C(C=C2C=C(C=CC2=N1)Cl)N
InChI
InChI=1S/C12H11ClN2O2/c1-2-17-12(16)11-9(14)6-7-5-8(13)3-4-10(7)15-11/h3-6H,2,14H2,1H3
InChIKey
XQUXZGAFRQLBOU-UHFFFAOYSA-N
Compound name
ethyl 3-amino-6-chloroquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

250.0509 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.058176 152.4
[M+Na]+ 273.040118 162.6
[M-H]- 249.043624 155.6
[M+NH4]+ 268.084723 170.2
[M+K]+ 289.014058 157.9
[M+H-H2O]+ 233.048160 146.1
[M+HCOO]- 295.049101 170.0
[M+CH3COO]- 309.064751 195.4
[M+Na-2H]- 271.025566 157.9
[M]+ 250.05035142 155.7
[M]- 250.05144858 155.7
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