CID 16075489

4-[(e)-2-(4-hydroxyphenyl)vinyl]-9-(4-phenylphenyl)furo[2,3-h]chromen-2-one

Structural Information

Molecular Formula
C31H20O4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=COC4=C3C5=C(C=C4)C(=CC(=O)O5)/C=C/C6=CC=C(C=C6)O
InChI
InChI=1S/C31H20O4/c32-25-14-7-20(8-15-25)6-9-24-18-29(33)35-31-26(24)16-17-28-30(31)27(19-34-28)23-12-10-22(11-13-23)21-4-2-1-3-5-21/h1-19,32H/b9-6+
InChIKey
FDCPDDUWJAJYSK-RMKNXTFCSA-N
Compound name
4-[(E)-2-(4-hydroxyphenyl)ethenyl]-9-(4-phenylphenyl)furo[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.13617 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.14345 213.5
[M+Na]+ 479.12539 223.8
[M-H]- 455.12889 228.8
[M+NH4]+ 474.16999 221.7
[M+K]+ 495.09933 217.9
[M+H-H2O]+ 439.13343 202.7
[M+HCOO]- 501.13437 232.8
[M+CH3COO]- 515.15002 223.4
[M+Na-2H]- 477.11084 216.0
[M]+ 456.13562 217.7
[M]- 456.13672 217.7
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.