CID 6479088

Xanthoangelol f

Structural Information

Molecular Formula
C26H30O4
SMILES
CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)/C)C
InChI
InChI=1S/C26H30O4/c1-18(2)6-5-7-19(3)8-14-23-25(30-4)17-15-22(26(23)29)24(28)16-11-20-9-12-21(27)13-10-20/h6,8-13,15-17,27,29H,5,7,14H2,1-4H3/b16-11+,19-8+
InChIKey
XBFSDEKOTLYPJU-SXZUIPJJSA-N
Compound name
(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

39
Patents

406.21442 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22170 203.0
[M+Na]+ 429.20364 214.1
[M+NH4]+ 424.24824 207.2
[M+K]+ 445.17758 207.2
[M-H]- 405.20714 204.3
[M+Na-2H]- 427.18909 206.3
[M]+ 406.21387 204.7
[M]- 406.21497 204.7
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