CID 162858118

5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C26H30O5
SMILES
CC(=CCC1=C(C2=C(C(=C1OC)CC=C(C)C)OC(CC2=O)C3=CC=C(C=C3)O)O)C
InChI
InChI=1S/C26H30O5/c1-15(2)6-12-19-24(29)23-21(28)14-22(17-8-10-18(27)11-9-17)31-26(23)20(25(19)30-5)13-7-16(3)4/h6-11,22,27,29H,12-14H2,1-5H3
InChIKey
LZMKMDHLCFLWBH-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.20932 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21660 204.9
[M+Na]+ 445.19854 210.8
[M-H]- 421.20204 210.1
[M+NH4]+ 440.24314 213.8
[M+K]+ 461.17248 206.5
[M+H-H2O]+ 405.20658 196.6
[M+HCOO]- 467.20752 217.3
[M+CH3COO]- 481.22317 229.3
[M+Na-2H]- 443.18399 200.6
[M]+ 422.20877 207.4
[M]- 422.20987 207.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.