CID 131753069

Kanzonol k

Structural Information

Molecular Formula
C26H28O6
SMILES
CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=C(C(=C3C2=O)O)CC=C(C)C)OC)O)C
InChI
InChI=1S/C26H28O6/c1-14(2)6-8-17-20(27)11-10-16(24(17)28)19-13-32-22-12-21(31-5)18(9-7-15(3)4)25(29)23(22)26(19)30/h6-7,10-13,27-29H,8-9H2,1-5H3
InChIKey
UWUOGPWSIVRQNM-UHFFFAOYSA-N
Compound name
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

436.1886 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19588 207.4
[M+Na]+ 459.17782 221.0
[M+NH4]+ 454.22242 211.5
[M+K]+ 475.15176 215.1
[M-H]- 435.18132 210.5
[M+Na-2H]- 457.16327 209.5
[M]+ 436.18805 210.1
[M]- 436.18915 210.1
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