CID 5271540

3,7-dibenzoyl-2-phenyl-chroman-4-one

Structural Information

Molecular Formula
C29H20O4
SMILES
C1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H20O4/c30-26(19-10-4-1-5-11-19)22-16-17-23-24(18-22)33-29(21-14-8-3-9-15-21)25(28(23)32)27(31)20-12-6-2-7-13-20/h1-18,25,29H
InChIKey
FQJWYKFOBATKAD-UHFFFAOYSA-N
Compound name
3,7-dibenzoyl-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.13617 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14345 205.6
[M+Na]+ 455.12539 210.5
[M-H]- 431.12889 218.5
[M+NH4]+ 450.16999 212.6
[M+K]+ 471.09933 205.6
[M+H-H2O]+ 415.13343 193.3
[M+HCOO]- 477.13437 221.7
[M+CH3COO]- 491.15002 213.7
[M+Na-2H]- 453.11084 206.3
[M]+ 432.13562 203.9
[M]- 432.13672 203.9
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.