CID 503731

Licocoumarone

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC(=C2)C3=C(C=C(C=C3)O)O)OC)C
InChI
InChI=1S/C20H20O5/c1-11(2)4-6-14-17(23)10-19-15(20(14)24-3)9-18(25-19)13-7-5-12(21)8-16(13)22/h4-5,7-10,21-23H,6H2,1-3H3
InChIKey
CNPMAFLUEHEXRE-UHFFFAOYSA-N
Compound name
4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

62
Patents

340.13107 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 180.0
[M+Na]+ 363.12029 193.8
[M+NH4]+ 358.16489 186.3
[M+K]+ 379.09423 190.0
[M-H]- 339.12379 183.6
[M+Na-2H]- 361.10574 184.1
[M]+ 340.13052 183.0
[M]- 340.13162 183.0
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