CID 2185464

6-benzyl-3-(4-methoxyphenyl)-5-methyl-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C26H20O4
SMILES
CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5
InChI
InChI=1S/C26H20O4/c1-16-20-13-22-23(18-8-10-19(28-2)11-9-18)15-29-24(22)14-25(20)30-26(27)21(16)12-17-6-4-3-5-7-17/h3-11,13-15H,12H2,1-2H3
InChIKey
JDPIOUGJXXICPU-UHFFFAOYSA-N
Compound name
6-benzyl-3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.13617 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.14345 196.8
[M+Na]+ 419.12539 208.5
[M-H]- 395.12889 211.1
[M+NH4]+ 414.16999 209.2
[M+K]+ 435.09933 204.7
[M+H-H2O]+ 379.13343 187.5
[M+HCOO]- 441.13437 218.5
[M+CH3COO]- 455.15002 209.0
[M+Na-2H]- 417.11084 200.8
[M]+ 396.13562 205.0
[M]- 396.13672 205.0
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.