CID 23250008

5'-prenylxanthohumol

Structural Information

Molecular Formula
C26H30O5
SMILES
CC(=CCC1=C(C(=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)CC=C(C)C)O)C
InChI
InChI=1S/C26H30O5/c1-16(2)6-13-20-24(29)21(14-7-17(3)4)26(31-5)23(25(20)30)22(28)15-10-18-8-11-19(27)12-9-18/h6-12,15,27,29-30H,13-14H2,1-5H3/b15-10+
InChIKey
HOTYOZVURUOVTK-XNTDXEJSSA-N
Compound name
(E)-1-[2,4-dihydroxy-6-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

89
Patents

422.20932 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21660 203.4
[M+Na]+ 445.19854 208.8
[M-H]- 421.20204 206.0
[M+NH4]+ 440.24314 212.0
[M+K]+ 461.17248 202.8
[M+H-H2O]+ 405.20658 195.7
[M+HCOO]- 467.20752 217.8
[M+CH3COO]- 481.22317 226.3
[M+Na-2H]- 443.18399 196.3
[M]+ 422.20877 205.9
[M]- 422.20987 205.9
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