CID 54680473

10475-15-7

Structural Information

Molecular Formula
C24H18O4
SMILES
C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C24H18O4/c25-20(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)22-23(26)18-13-7-8-14-21(18)28-24(22)27/h1-14,19,26H,15H2
InChIKey
PJKDVDQLFSFEBL-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(3-oxo-1,3-diphenylpropyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.1205 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12778 187.8
[M+Na]+ 393.10972 194.4
[M-H]- 369.11322 197.6
[M+NH4]+ 388.15432 197.8
[M+K]+ 409.08366 190.1
[M+H-H2O]+ 353.11776 177.7
[M+HCOO]- 415.11870 206.1
[M+CH3COO]- 429.13435 197.7
[M+Na-2H]- 391.09517 191.5
[M]+ 370.11995 189.0
[M]- 370.12105 189.0
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.