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]+ 457.143446 213.5
[M+Na]+ 479.125388 223.8
[M-H]- 455.128894 228.8
[M+NH4]+ 474.169993 221.7
[M+K]+ 495.099328 217.9
[M+H-H2O]+ 439.133430 202.7
[M+HCOO]- 501.134371 232.8
[M+CH3COO]- 515.150021 223.4
[M+Na-2H]- 477.110836 216.0
[M]+ 456.13562142 217.7
[M]- 456.13671858 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.