CID 44257484

2-prenyl-6a-hydroxyphaseollidin

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC1=CC2=C(C=C1O)OCC3(C2OC4=C3C=CC(=C4CC=C(C)C)O)O)C
InChI
InChI=1S/C25H28O5/c1-14(2)5-7-16-11-18-22(12-21(16)27)29-13-25(28)19-9-10-20(26)17(8-6-15(3)4)23(19)30-24(18)25/h5-6,9-12,24,26-28H,7-8,13H2,1-4H3
InChIKey
ZAAKSBRPXNODLV-UHFFFAOYSA-N
Compound name
2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

408.19366 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.200936 201.6
[M+Na]+ 431.182878 208.8
[M-H]- 407.186384 205.0
[M+NH4]+ 426.227483 215.0
[M+K]+ 447.156818 204.6
[M+H-H2O]+ 391.190920 196.0
[M+HCOO]- 453.191861 210.3
[M+CH3COO]- 467.207511 223.0
[M+Na-2H]- 429.168326 200.9
[M]+ 408.19311142 204.1
[M]- 408.19420858 204.1
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