CID 5281219

Abyssinone vi

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)/C=C/C(=O)C2=C(C=C(C=C2)O)O)C
InChI
InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+
InChIKey
PEKZTKWPHQWTIM-KPKJPENVSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

392.19876 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 199.2
[M+Na]+ 415.18798 210.3
[M+NH4]+ 410.23258 203.1
[M+K]+ 431.16192 204.1
[M-H]- 391.19148 200.0
[M+Na-2H]- 413.17343 201.8
[M]+ 392.19821 200.7
[M]- 392.19931 200.7
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