CID 3326755

6-benzyl-5,9-dimethyl-3-(4-methylphenyl)-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C27H22O3
SMILES
CC1=CC=C(C=C1)C2=COC3=C2C=C4C(=C(C(=O)OC4=C3C)CC5=CC=CC=C5)C
InChI
InChI=1S/C27H22O3/c1-16-9-11-20(12-10-16)24-15-29-25-18(3)26-21(14-23(24)25)17(2)22(27(28)30-26)13-19-7-5-4-6-8-19/h4-12,14-15H,13H2,1-3H3
InChIKey
ILKJTKQWIVFKDL-UHFFFAOYSA-N
Compound name
6-benzyl-5,9-dimethyl-3-(4-methylphenyl)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1569 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16418 195.3
[M+Na]+ 417.14612 216.2
[M+NH4]+ 412.19072 205.0
[M+K]+ 433.12006 207.3
[M-H]- 393.14962 206.9
[M+Na-2H]- 415.13157 204.9
[M]+ 394.15635 202.3
[M]- 394.15745 202.3
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.