CID 362562

119269-76-0

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4CC=C(C)C)O)O)C
InChI
InChI=1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
InChIKey
HOGHBEDTLGAJAS-UHFFFAOYSA-N
Compound name
4,10-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
3
Annotation Hits

6
References

201
Patents

392.19876 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 199.3
[M+Na]+ 415.18798 206.0
[M-H]- 391.19148 203.8
[M+NH4]+ 410.23258 212.1
[M+K]+ 431.16192 201.6
[M+H-H2O]+ 375.19602 193.2
[M+HCOO]- 437.19696 209.4
[M+CH3COO]- 451.21261 223.2
[M+Na-2H]- 413.17343 197.4
[M]+ 392.19821 201.6
[M]- 392.19931 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

patents stripe