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]+ 463.109536 217.3
[M+Na]+ 485.091478 230.1
[M-H]- 461.094984 234.0
[M+NH4]+ 480.136083 227.3
[M+K]+ 501.065418 223.7
[M+H-H2O]+ 445.099520 206.7
[M+HCOO]- 507.100461 233.5
[M+CH3COO]- 521.116111 228.1
[M+Na-2H]- 483.076926 218.9
[M]+ 462.10171142 225.4
[M]- 462.10280858 225.4
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.