CID 44257470

Lmpk12070096

Structural Information

Molecular Formula
C26H30O5
SMILES
CC(=CCC1=CC2=C(C=C1O)OC3C2COC4=C3C(=C(C(=C4)O)CC=C(C)C)OC)C
InChI
InChI=1S/C26H30O5/c1-14(2)6-8-16-10-18-19-13-30-23-12-21(28)17(9-7-15(3)4)25(29-5)24(23)26(19)31-22(18)11-20(16)27/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3
InChIKey
WIEKYGJSRGBBTQ-UHFFFAOYSA-N
Compound name
1-methoxy-2,8-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

422.20932 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21660 207.0
[M+Na]+ 445.19854 213.8
[M-H]- 421.20204 211.6
[M+NH4]+ 440.24314 218.6
[M+K]+ 461.17248 210.1
[M+H-H2O]+ 405.20658 200.8
[M+HCOO]- 467.20752 216.8
[M+CH3COO]- 481.22317 229.8
[M+Na-2H]- 443.18399 204.1
[M]+ 422.20877 211.5
[M]- 422.20987 211.5
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.