CID 14777669

Antiarone e

Structural Information

Molecular Formula
C26H30O6
SMILES
CC(=CCC1=CC(=C(C(=C1OC)O)CC=C(C)C)/C=C/C(=O)C2=C(C=C(C=C2O)O)O)C
InChI
InChI=1S/C26H30O6/c1-15(2)6-8-18-12-17(20(10-7-16(3)4)25(31)26(18)32-5)9-11-21(28)24-22(29)13-19(27)14-23(24)30/h6-7,9,11-14,27,29-31H,8,10H2,1-5H3/b11-9+
InChIKey
BTVGKIWEGFQOTG-PKNBQFBNSA-N
Compound name
(E)-3-[3-hydroxy-4-methoxy-2,5-bis(3-methylbut-2-enyl)phenyl]-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.20422 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.21150 206.0
[M+Na]+ 461.19344 211.5
[M-H]- 437.19694 207.5
[M+NH4]+ 456.23804 213.3
[M+K]+ 477.16738 205.8
[M+H-H2O]+ 421.20148 198.5
[M+HCOO]- 483.20242 219.0
[M+CH3COO]- 497.21807 227.9
[M+Na-2H]- 459.17889 198.0
[M]+ 438.20367 208.5
[M]- 438.20477 208.5
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

No patent data available for this compound.