CID 2785731

Coumestrol dimethyl ether

Structural Information

Molecular Formula
C17H12O5
SMILES
COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)OC)OC3=O
InChI
InChI=1S/C17H12O5/c1-19-9-3-5-11-13(7-9)21-16-12-6-4-10(20-2)8-14(12)22-17(18)15(11)16/h3-8H,1-2H3
InChIKey
PXHLPCBBXPHBHP-UHFFFAOYSA-N
Compound name
3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.06848 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 160.8
[M+Na]+ 319.05770 179.2
[M+NH4]+ 314.10230 170.1
[M+K]+ 335.03164 173.5
[M-H]- 295.06120 167.3
[M+Na-2H]- 317.04315 167.1
[M]+ 296.06793 165.7
[M]- 296.06903 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe