CID 49758124

1242260-34-9

Structural Information

Molecular Formula
C13H13BrN2O2
SMILES
CCOC(=O)C1=CN=C2C(=CC(=CC2=C1N)C)Br
InChI
InChI=1S/C13H13BrN2O2/c1-3-18-13(17)9-6-16-12-8(11(9)15)4-7(2)5-10(12)14/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKey
XXRCSCXQXKJDKV-UHFFFAOYSA-N
Compound name
ethyl 4-amino-8-bromo-6-methylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.01605 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02333 159.5
[M+Na]+ 331.00527 163.3
[M+NH4]+ 326.04987 163.6
[M+K]+ 346.97921 163.2
[M-H]- 307.00877 160.3
[M+Na-2H]- 328.99072 161.9
[M]+ 308.01550 159.0
[M]- 308.01660 159.0
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