CID 15818598

Glyurallin a

Structural Information

Molecular Formula
C21H20O5
SMILES
CC(=CCC1=C(C2=C(C=C1O)OCC3=C2OC4=C3C=CC(=C4)O)OC)C
InChI
InChI=1S/C21H20O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,22-23H,6,10H2,1-3H3
InChIKey
AEAIWNGAMDGGNB-UHFFFAOYSA-N
Compound name
1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

352.13107 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 181.8
[M+Na]+ 375.12029 196.4
[M+NH4]+ 370.16489 189.5
[M+K]+ 391.09423 191.9
[M-H]- 351.12379 186.6
[M+Na-2H]- 373.10574 183.4
[M]+ 352.13052 185.4
[M]- 352.13162 185.4
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