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

1
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

patents stripe