CID 122705967

4-bromo-7-methoxyquinoline-6-carboxamide

Structural Information

Molecular Formula
C11H9BrN2O2
SMILES
COC1=CC2=NC=CC(=C2C=C1C(=O)N)Br
InChI
InChI=1S/C11H9BrN2O2/c1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9/h2-5H,1H3,(H2,13,15)
InChIKey
QNHTXXWMMSHSKO-UHFFFAOYSA-N
Compound name
4-bromo-7-methoxyquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.98474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99202 151.3
[M+Na]+ 302.97396 163.5
[M-H]- 278.97746 157.1
[M+NH4]+ 298.01856 170.4
[M+K]+ 318.94790 152.1
[M+H-H2O]+ 262.98200 150.1
[M+HCOO]- 324.98294 171.2
[M+CH3COO]- 338.99859 198.7
[M+Na-2H]- 300.95941 158.5
[M]+ 279.98419 170.6
[M]- 279.98529 170.6
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

No patent data available for this compound.