CID 155976

Moracin i

Structural Information

Molecular Formula
C20H20O4
SMILES
CC(=CCC1=C(C=C(C=C1OC)O)C2=CC3=C(O2)C=C(C=C3)O)C
InChI
InChI=1S/C20H20O4/c1-12(2)4-7-16-17(9-15(22)11-19(16)23-3)20-8-13-5-6-14(21)10-18(13)24-20/h4-6,8-11,21-22H,7H2,1-3H3
InChIKey
MRJQFSZVXAESPR-UHFFFAOYSA-N
Compound name
2-[5-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4
Patents

324.13617 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 176.5
[M+Na]+ 347.12539 186.2
[M-H]- 323.12889 183.5
[M+NH4]+ 342.16999 191.6
[M+K]+ 363.09933 182.1
[M+H-H2O]+ 307.13343 170.0
[M+HCOO]- 369.13437 196.8
[M+CH3COO]- 383.15002 206.2
[M+Na-2H]- 345.11084 177.9
[M]+ 324.13562 181.9
[M]- 324.13672 181.9
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