CID 49771522

6-amino-4-[(6-bromo-2-methoxy-3-quinolyl)-phenyl-methyl]chromen-2-one

Structural Information

Molecular Formula
C26H19BrN2O3
SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C4=CC(=O)OC5=C4C=C(C=C5)N
InChI
InChI=1S/C26H19BrN2O3/c1-31-26-21(12-16-11-17(27)7-9-22(16)29-26)25(15-5-3-2-4-6-15)20-14-24(30)32-23-10-8-18(28)13-19(20)23/h2-14,25H,28H2,1H3
InChIKey
DENNCBBUKJDEHX-UHFFFAOYSA-N
Compound name
6-amino-4-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

486.05792 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.06520 214.0
[M+Na]+ 509.04714 225.0
[M-H]- 485.05064 226.4
[M+NH4]+ 504.09174 223.4
[M+K]+ 525.02108 213.6
[M+H-H2O]+ 469.05518 208.6
[M+HCOO]- 531.05612 230.5
[M+CH3COO]- 545.07177 224.3
[M+Na-2H]- 507.03259 218.9
[M]+ 486.05737 235.1
[M]- 486.05847 235.1
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

No patent data available for this compound.