CID 135491456

Chembl188040

Structural Information

Molecular Formula
C26H21NO4
SMILES
C1=CC=C(C=C1)CCC(=O)C2=C(C3=C(C=CC(=N3)/C=C/C4=CC(=C(C=C4)O)O)C=C2)O
InChI
InChI=1S/C26H21NO4/c28-22(14-7-17-4-2-1-3-5-17)21-13-10-19-9-12-20(27-25(19)26(21)31)11-6-18-8-15-23(29)24(30)16-18/h1-6,8-13,15-16,29-31H,7,14H2/b11-6+
InChIKey
OLFTWEWZMRTWBR-IZZDOVSWSA-N
Compound name
1-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.14706 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15434 200.7
[M+Na]+ 434.13628 207.3
[M-H]- 410.13978 206.0
[M+NH4]+ 429.18088 208.1
[M+K]+ 450.11022 199.4
[M+H-H2O]+ 394.14432 190.1
[M+HCOO]- 456.14526 215.8
[M+CH3COO]- 470.16091 208.3
[M+Na-2H]- 432.12173 202.0
[M]+ 411.14651 200.2
[M]- 411.14761 200.2
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.