CID 131751529

39036-47-0

Structural Information

Molecular Formula
C24H30O5
SMILES
CCCCCC1=CC(=O)OC2=C3C=CC(OC3=C(C(=C12)O)C(=O)CC(C)C)(C)C
InChI
InChI=1S/C24H30O5/c1-6-7-8-9-15-13-18(26)28-22-16-10-11-24(4,5)29-23(16)20(21(27)19(15)22)17(25)12-14(2)3/h10-11,13-14,27H,6-9,12H2,1-5H3
InChIKey
UIZLWUQKSKSCTK-UHFFFAOYSA-N
Compound name
5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-pentylpyrano[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.20932 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21660 196.6
[M+Na]+ 421.19854 209.9
[M+NH4]+ 416.24314 204.0
[M+K]+ 437.17248 201.9
[M-H]- 397.20204 200.7
[M+Na-2H]- 419.18399 199.0
[M]+ 398.20877 199.9
[M]- 398.20987 199.9
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.