CID 15190

1509-10-0

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]+ 447.201336 203.8
[M+Na]+ 469.183278 210.6
[M-H]- 445.186784 206.1
[M+NH4]+ 464.227883 211.0
[M+K]+ 485.157218 208.0
[M+H-H2O]+ 429.191320 195.9
[M+HCOO]- 491.192261 218.1
[M+CH3COO]- 505.207911 231.9
[M+Na-2H]- 467.168726 197.0
[M]+ 446.19351142 211.5
[M]- 446.19460858 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.