CID 15190

Phloraspidinol

Structural Information

Molecular Formula
C24H30O8
SMILES
CCCC(=O)C1=C(C(=C(C=C1O)OC)CC2=C(C(=C(C(=C2O)C(=O)CCC)O)C)OC)O
InChI
InChI=1S/C24H30O8/c1-6-8-15(25)19-17(27)11-18(31-4)13(22(19)29)10-14-23(30)20(16(26)9-7-2)21(28)12(3)24(14)32-5/h11,27-30H,6-10H2,1-5H3
InChIKey
ABJZJBCLEZJOTC-UHFFFAOYSA-N
Compound name
1-[3-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxyphenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.19406 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20134 208.3
[M+Na]+ 469.18328 218.6
[M+NH4]+ 464.22788 210.2
[M+K]+ 485.15722 215.5
[M-H]- 445.18678 207.5
[M+Na-2H]- 467.16873 208.4
[M]+ 446.19351 209.2
[M]- 446.19461 209.2
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.