CID 44151023

3'-methoxycoumestrol

Structural Information

Molecular Formula
C16H10O6
SMILES
COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)O
InChI
InChI=1S/C16H10O6/c1-20-13-5-9-12(6-10(13)18)21-15-8-3-2-7(17)4-11(8)22-16(19)14(9)15/h2-6,17-18H,1H3
InChIKey
MQORJFLPGOCLDS-UHFFFAOYSA-N
Compound name
3,9-dihydroxy-8-methoxy-[1]benzofuro[3,2-c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

298.04773 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05501 160.9
[M+Na]+ 321.03695 178.3
[M+NH4]+ 316.08155 169.1
[M+K]+ 337.01089 174.2
[M-H]- 297.04045 166.1
[M+Na-2H]- 319.02240 165.5
[M]+ 298.04718 165.1
[M]- 298.04828 165.1
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