CID 467235

Cordatolide e

Structural Information

Molecular Formula
C20H24O6
SMILES
CC1CC(=O)OC2=C(C(=C3C=CC(OC3=C12)(C)C)O)C(=O)C(C)C(C)O
InChI
InChI=1S/C20H24O6/c1-9-8-13(22)25-19-14(9)18-12(6-7-20(4,5)26-18)17(24)15(19)16(23)10(2)11(3)21/h6-7,9-11,21,24H,8H2,1-5H3
InChIKey
YBTZYMZAMUEVJB-UHFFFAOYSA-N
Compound name
5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2,10-trimethyl-9,10-dihydropyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1573 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16458 182.9
[M+Na]+ 383.14652 190.1
[M-H]- 359.15002 186.9
[M+NH4]+ 378.19112 196.0
[M+K]+ 399.12046 190.0
[M+H-H2O]+ 343.15456 177.1
[M+HCOO]- 405.15550 192.2
[M+CH3COO]- 419.17115 217.8
[M+Na-2H]- 381.13197 183.6
[M]+ 360.15675 185.9
[M]- 360.15785 185.9
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.