CID 118169

34432-91-2

Structural Information

Molecular Formula
C24H15NO3
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C(C3=O)C4=NC5=CC=CC=C5C=C4O
InChI
InChI=1S/C24H15NO3/c26-20-13-16-8-4-5-9-19(16)25-22(20)21-23(27)17-11-10-15(12-18(17)24(21)28)14-6-2-1-3-7-14/h1-13,21,26H
InChIKey
SEMBXXDVPHSLRG-UHFFFAOYSA-N
Compound name
2-(3-hydroxyquinolin-2-yl)-5-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.1052 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11248 187.1
[M+Na]+ 388.09442 197.1
[M-H]- 364.09792 196.9
[M+NH4]+ 383.13902 200.9
[M+K]+ 404.06836 189.4
[M+H-H2O]+ 348.10246 177.4
[M+HCOO]- 410.10340 205.8
[M+CH3COO]- 424.11905 197.8
[M+Na-2H]- 386.07987 189.2
[M]+ 365.10465 187.4
[M]- 365.10575 187.4
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

patents stripe