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

50
Patents

250.0509 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05818 152.4
[M+Na]+ 273.04012 162.6
[M-H]- 249.04362 155.6
[M+NH4]+ 268.08472 170.2
[M+K]+ 289.01406 157.9
[M+H-H2O]+ 233.04816 146.1
[M+HCOO]- 295.04910 170.0
[M+CH3COO]- 309.06475 195.4
[M+Na-2H]- 271.02557 157.9
[M]+ 250.05035 155.7
[M]- 250.05145 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