CID 5086400

Erythrabyssin ii

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=C3C=CC(=C4CC=C(C)C)O)C
InChI
InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
InChIKey
LDKAMVCGTURXMH-UHFFFAOYSA-N
Compound name
2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.19876 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.206036 199.3
[M+Na]+ 415.187978 206.0
[M-H]- 391.191484 203.8
[M+NH4]+ 410.232583 212.1
[M+K]+ 431.161918 201.6
[M+H-H2O]+ 375.196020 193.2
[M+HCOO]- 437.196961 209.4
[M+CH3COO]- 451.212611 223.2
[M+Na-2H]- 413.173426 197.4
[M]+ 392.19821142 201.6
[M]- 392.19930858 201.6
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.