CID 1858113

3-(4-chlorophenyl)-9-methyl-2,5-diphenyl-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C30H19ClO3
SMILES
CC1=C2C(=CC3=C1OC(=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C(=CC(=O)O2)C6=CC=CC=C6
InChI
InChI=1S/C30H19ClO3/c1-18-28-24(23(17-26(32)33-28)19-8-4-2-5-9-19)16-25-27(20-12-14-22(31)15-13-20)30(34-29(18)25)21-10-6-3-7-11-21/h2-17H,1H3
InChIKey
MCMIPXABTNCJJC-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-9-methyl-2,5-diphenylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.10226 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.10954 213.1
[M+Na]+ 485.09148 236.9
[M+NH4]+ 480.13608 223.6
[M+K]+ 501.06542 225.6
[M-H]- 461.09498 227.2
[M+Na-2H]- 483.07693 225.3
[M]+ 462.10171 221.7
[M]- 462.10281 221.7
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.