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
2
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 203.8
[M+Na]+ 469.18328 210.6
[M-H]- 445.18678 206.1
[M+NH4]+ 464.22788 211.0
[M+K]+ 485.15722 208.0
[M+H-H2O]+ 429.19132 195.9
[M+HCOO]- 491.19226 218.1
[M+CH3COO]- 505.20791 231.9
[M+Na-2H]- 467.16873 197.0
[M]+ 446.19351 211.5
[M]- 446.19461 211.5
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.