CID 14542255

Hiravanone

Structural Information

Molecular Formula
C26H30O6
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC(=C(C=C3)O)OC)CC=C(C)C)O)C
InChI
InChI=1S/C26H30O6/c1-14(2)6-9-17-24(29)18(10-7-15(3)4)26-23(25(17)30)20(28)13-21(32-26)16-8-11-19(27)22(12-16)31-5/h6-8,11-12,21,27,29-30H,9-10,13H2,1-5H3
InChIKey
JBDKVARPSUMQCX-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

patents stripe