CID 135491450

Chembl188712

Structural Information

Molecular Formula
C24H17NO5
SMILES
C1=CC(=NC2=C1C=CC(=C2O)C(=O)C3=CC=C(C=C3)O)/C=C/C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C24H17NO5/c26-18-9-4-16(5-10-18)23(29)19-11-6-15-3-8-17(25-22(15)24(19)30)7-1-14-2-12-20(27)21(28)13-14/h1-13,26-28,30H/b7-1+
InChIKey
GWFFRTBTZLGGEX-LREOWRDNSA-N
Compound name
[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.1107 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.11798 195.1
[M+Na]+ 422.09992 202.8
[M-H]- 398.10342 199.9
[M+NH4]+ 417.14452 202.5
[M+K]+ 438.07386 195.6
[M+H-H2O]+ 382.10796 185.2
[M+HCOO]- 444.10890 209.5
[M+CH3COO]- 458.12455 203.1
[M+Na-2H]- 420.08537 196.4
[M]+ 399.11015 194.2
[M]- 399.11125 194.2
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.