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 199.0
[M+Na]+ 417.14612 211.4
[M-H]- 393.14962 213.5
[M+NH4]+ 412.19072 211.9
[M+K]+ 433.12006 206.7
[M+H-H2O]+ 377.15416 189.8
[M+HCOO]- 439.15510 220.1
[M+CH3COO]- 453.17075 211.2
[M+Na-2H]- 415.13157 201.6
[M]+ 394.15635 206.6
[M]- 394.15745 206.6
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.