CID 1764645

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

Structural Information

Molecular Formula
C29H26O3
SMILES
CCCCCC1=CC=C(C=C1)C2=COC3=C2C=C4C(=CC(=O)OC4=C3C)C5=CC=CC=C5
InChI
InChI=1S/C29H26O3/c1-3-4-6-9-20-12-14-22(15-13-20)26-18-31-28-19(2)29-24(16-25(26)28)23(17-27(30)32-29)21-10-7-5-8-11-21/h5,7-8,10-18H,3-4,6,9H2,1-2H3
InChIKey
VGBNOSAVEGWDHI-UHFFFAOYSA-N
Compound name
9-methyl-3-(4-pentylphenyl)-5-phenylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1882 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19548 208.0
[M+Na]+ 445.17742 218.6
[M-H]- 421.18092 221.6
[M+NH4]+ 440.22202 219.4
[M+K]+ 461.15136 213.4
[M+H-H2O]+ 405.18546 198.2
[M+HCOO]- 467.18640 228.4
[M+CH3COO]- 481.20205 219.0
[M+Na-2H]- 443.16287 210.1
[M]+ 422.18765 215.6
[M]- 422.18875 215.6
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.