CID 643007

Xanthoangelol

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C
InChI
InChI=1S/C25H28O4/c1-17(2)5-4-6-18(3)7-13-21-24(28)16-14-22(25(21)29)23(27)15-10-19-8-11-20(26)12-9-19/h5,7-12,14-16,26,28-29H,4,6,13H2,1-3H3/b15-10+,18-7+
InChIKey
LRSMBOSQWGHYCW-MDGZPELGSA-N
Compound name
(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

59
References

293
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 199.4
[M+Na]+ 415.18798 210.1
[M+NH4]+ 410.23258 203.3
[M+K]+ 431.16192 203.7
[M-H]- 391.19148 200.1
[M+Na-2H]- 413.17343 202.2
[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