CID 480771

Antiarone i

Structural Information

Molecular Formula
C26H30O6
SMILES
CC(=CCC1=CC(=C(C(=C1OC)O)CC=C(C)C)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C
InChI
InChI=1S/C26H30O6/c1-14(2)6-8-16-10-19(18(9-7-15(3)4)25(30)26(16)31-5)22-13-21(29)24-20(28)11-17(27)12-23(24)32-22/h6-7,10-12,22,27-28,30H,8-9,13H2,1-5H3
InChIKey
RYBGOKVPJPOMQW-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

438.20422 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.21150 207.8
[M+Na]+ 461.19344 213.9
[M-H]- 437.19694 212.0
[M+NH4]+ 456.23804 215.5
[M+K]+ 477.16738 209.9
[M+H-H2O]+ 421.20148 199.8
[M+HCOO]- 483.20242 218.8
[M+CH3COO]- 497.21807 231.1
[M+Na-2H]- 459.17889 202.7
[M]+ 438.20367 210.5
[M]- 438.20477 210.5
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.