CID 1780918

374767-72-3

Structural Information

Molecular Formula
C29H18O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=COC4=C3C=C5C(=CC(=O)OC5=C4)C6=CC=CC=C6
InChI
InChI=1S/C29H18O3/c30-29-16-23(21-9-5-2-6-10-21)24-15-25-26(18-31-27(25)17-28(24)32-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18H
InChIKey
ZHDSKWHIJAUKPS-UHFFFAOYSA-N
Compound name
5-phenyl-3-(4-phenylphenyl)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.12558 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13286 201.7
[M+Na]+ 437.11480 212.6
[M-H]- 413.11830 218.3
[M+NH4]+ 432.15940 212.2
[M+K]+ 453.08874 207.3
[M+H-H2O]+ 397.12284 191.1
[M+HCOO]- 459.12378 223.0
[M+CH3COO]- 473.13943 213.0
[M+Na-2H]- 435.10025 206.2
[M]+ 414.12503 206.0
[M]- 414.12613 206.0
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.