CID 135491449

Chembl189715

Structural Information

Molecular Formula
C24H15F2NO4
SMILES
C1=CC(=NC2=C1C=CC(=C2O)C(=O)C3=CC(=C(C=C3)F)F)/C=C/C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C24H15F2NO4/c25-18-9-5-15(12-19(18)26)23(30)17-8-4-14-3-7-16(27-22(14)24(17)31)6-1-13-2-10-20(28)21(29)11-13/h1-12,28-29,31H/b6-1+
InChIKey
XCCXVYPNNNPHQC-LZCJLJQNSA-N
Compound name
(3,4-difluorophenyl)-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.09692 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.10420 199.6
[M+Na]+ 442.08614 209.0
[M-H]- 418.08964 203.3
[M+NH4]+ 437.13074 207.2
[M+K]+ 458.06008 200.7
[M+H-H2O]+ 402.09418 187.7
[M+HCOO]- 464.09512 213.1
[M+CH3COO]- 478.11077 207.5
[M+Na-2H]- 440.07159 199.1
[M]+ 419.09637 197.4
[M]- 419.09747 197.4
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.