CID 1780993

374768-57-7

Structural Information

Molecular Formula
C32H24O3
SMILES
CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=CO3)C4=CC=C(C=C4)C5=CC=CC=C5)C)CC6=CC=CC=C6
InChI
InChI=1S/C32H24O3/c1-20-26-18-28-29(25-15-13-24(14-16-25)23-11-7-4-8-12-23)19-34-30(28)21(2)31(26)35-32(33)27(20)17-22-9-5-3-6-10-22/h3-16,18-19H,17H2,1-2H3
InChIKey
OWJVVLXKNUEZOB-UHFFFAOYSA-N
Compound name
6-benzyl-5,9-dimethyl-3-(4-phenylphenyl)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.17255 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.17983 217.5
[M+Na]+ 479.16177 228.5
[M-H]- 455.16527 234.2
[M+NH4]+ 474.20637 226.8
[M+K]+ 495.13571 222.9
[M+H-H2O]+ 439.16981 206.3
[M+HCOO]- 501.17075 237.5
[M+CH3COO]- 515.18640 227.9
[M+Na-2H]- 477.14722 218.7
[M]+ 456.17200 223.4
[M]- 456.17310 223.4
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.