CID 15730565

6-prenylisocaviunin

Structural Information

Molecular Formula
C24H26O8
SMILES
CC(=CCC1=C(C2=C(C(=C1O)OC)OC=C(C2=O)C3=CC(=C(C=C3OC)OC)OC)O)C
InChI
InChI=1S/C24H26O8/c1-12(2)7-8-13-20(25)19-21(26)15(11-32-23(19)24(31-6)22(13)27)14-9-17(29-4)18(30-5)10-16(14)28-3/h7,9-11,25,27H,8H2,1-6H3
InChIKey
PIYOXJNPMRGPBI-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-methoxy-6-(3-methylbut-2-enyl)-3-(2,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

442.16278 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17006 204.1
[M+Na]+ 465.15200 213.5
[M-H]- 441.15550 211.1
[M+NH4]+ 460.19660 212.6
[M+K]+ 481.12594 212.3
[M+H-H2O]+ 425.16004 195.0
[M+HCOO]- 487.16098 221.1
[M+CH3COO]- 501.17663 232.9
[M+Na-2H]- 463.13745 202.9
[M]+ 442.16223 215.2
[M]- 442.16333 215.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.