CID 325549

Nsc294495

Structural Information

Molecular Formula
C30H24O6
SMILES
COC1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5
InChI
InChI=1S/C30H24O6/c1-33-27-16-29(35-18-21-10-6-3-7-11-21)26(31)15-24(27)25-19-36-28-14-22(12-13-23(28)30(25)32)34-17-20-8-4-2-5-9-20/h2-16,19,31H,17-18H2,1H3
InChIKey
HFPMSTFNGYMBSJ-UHFFFAOYSA-N
Compound name
3-(5-hydroxy-2-methoxy-4-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.1573 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.16458 218.9
[M+Na]+ 503.14652 226.1
[M-H]- 479.15002 231.7
[M+NH4]+ 498.19112 224.2
[M+K]+ 519.12046 222.1
[M+H-H2O]+ 463.15456 205.6
[M+HCOO]- 525.15550 237.7
[M+CH3COO]- 539.17115 227.2
[M+Na-2H]- 501.13197 221.5
[M]+ 480.15675 224.5
[M]- 480.15785 224.5
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.