CID 42605185

Moracin t

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCC1=C(C(=CC2=C1C=C(O2)C3=CC(=CC(=C3)O)O)O)OC)C
InChI
InChI=1S/C20H20O5/c1-11(2)4-5-15-16-9-18(12-6-13(21)8-14(22)7-12)25-19(16)10-17(23)20(15)24-3/h4,6-10,21-23H,5H2,1-3H3
InChIKey
BILBQNGVYFSUOZ-UHFFFAOYSA-N
Compound name
5-[6-hydroxy-5-methoxy-4-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 179.6
[M+Na]+ 363.12029 189.4
[M-H]- 339.12379 185.6
[M+NH4]+ 358.16489 193.4
[M+K]+ 379.09423 185.4
[M+H-H2O]+ 323.12833 173.3
[M+HCOO]- 385.12927 198.4
[M+CH3COO]- 399.14492 207.6
[M+Na-2H]- 361.10574 180.1
[M]+ 340.13052 185.1
[M]- 340.13162 185.1
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

No patent data available for this compound.