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

literature stripe

Patent stripe

patents stripe