CID 3010063

2-[3-(4-oxo-2-phenyl-chroman-7-yl)phenyl]chromen-4-one

Structural Information

Molecular Formula
C30H20O4
SMILES
C1C(OC2=C(C1=O)C=CC(=C2)C3=CC(=CC=C3)C4=CC(=O)C5=CC=CC=C5O4)C6=CC=CC=C6
InChI
InChI=1S/C30H20O4/c31-25-18-29(33-27-12-5-4-11-23(25)27)22-10-6-9-20(15-22)21-13-14-24-26(32)17-28(34-30(24)16-21)19-7-2-1-3-8-19/h1-16,18,28H,17H2
InChIKey
BAFSJEQNYZLSKS-UHFFFAOYSA-N
Compound name
2-[3-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.13617 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14345 210.3
[M+Na]+ 467.12539 218.5
[M-H]- 443.12889 225.4
[M+NH4]+ 462.16999 217.2
[M+K]+ 483.09933 213.9
[M+H-H2O]+ 427.13343 197.0
[M+HCOO]- 489.13437 226.3
[M+CH3COO]- 503.15002 219.2
[M+Na-2H]- 465.11084 213.9
[M]+ 444.13562 210.6
[M]- 444.13672 210.6
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

No patent data available for this compound.