CID 5319254

Mammea a/ac cyclo f

Structural Information

Molecular Formula
C24H24O6
SMILES
CCCC(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)CC(O2)C(C)(C)O
InChI
InChI=1S/C24H24O6/c1-4-8-16(25)20-21(27)19-14(13-9-6-5-7-10-13)12-18(26)30-22(19)15-11-17(24(2,3)28)29-23(15)20/h5-7,9-10,12,17,27-28H,4,8,11H2,1-3H3
InChIKey
OBYOQQBVJXSKIF-UHFFFAOYSA-N
Compound name
6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-phenyl-8,9-dihydrofuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.1573 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16458 195.4
[M+Na]+ 431.14652 208.5
[M+NH4]+ 426.19112 201.2
[M+K]+ 447.12046 205.5
[M-H]- 407.15002 200.2
[M+Na-2H]- 429.13197 197.8
[M]+ 408.15675 198.7
[M]- 408.15785 198.7
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.