CID 466331

Chembl67903

Structural Information

Molecular Formula
C30H18O4
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4C5=CC(=O)C6=CC=CC=C6O5
InChI
InChI=1S/C30H18O4/c31-25-18-29(33-27-16-7-6-13-23(25)27)21-12-5-4-11-20(21)22-14-8-15-24-26(32)17-28(34-30(22)24)19-9-2-1-3-10-19/h1-18H
InChIKey
MCZZVDJBHNNVIF-UHFFFAOYSA-N
Compound name
8-[2-(4-oxochromen-2-yl)phenyl]-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.1205 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.12778 211.2
[M+Na]+ 465.10972 222.2
[M-H]- 441.11322 227.3
[M+NH4]+ 460.15432 218.4
[M+K]+ 481.08366 217.4
[M+H-H2O]+ 425.11776 197.8
[M+HCOO]- 487.11870 231.0
[M+CH3COO]- 501.13435 221.4
[M+Na-2H]- 463.09517 217.3
[M]+ 442.11995 215.4
[M]- 442.12105 215.4
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.