CID 493251

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

Structural Information

Molecular Formula
C29H18O4
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H18O4/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/h1-18H
InChIKey
GXLYJRXWWFUFCI-UHFFFAOYSA-N
Compound name
3,7-dibenzoyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.1205 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12778 205.5
[M+Na]+ 453.10972 212.4
[M-H]- 429.11322 219.3
[M+NH4]+ 448.15432 212.9
[M+K]+ 469.08366 207.3
[M+H-H2O]+ 413.11776 193.2
[M+HCOO]- 475.11870 224.4
[M+CH3COO]- 489.13435 214.6
[M+Na-2H]- 451.09517 208.1
[M]+ 430.11995 206.6
[M]- 430.12105 206.6
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.