CID 67261975

Schembl2053786

Structural Information

Molecular Formula
C24H24O6
SMILES
CC(=CCC1=C(C=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)C(=O)O)C
InChI
InChI=1S/C24H24O6/c1-12(2)5-7-14-15(24(28)29)9-10-18-20(14)23(27)21-19(30-18)11-17(25)16(22(21)26)8-6-13(3)4/h5-6,9-11,25-26H,7-8H2,1-4H3,(H,28,29)
InChIKey
PMZNKPZOEBJGNV-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-1,7-bis(3-methylbut-2-enyl)-9-oxoxanthene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

408.1573 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16458 197.0
[M+Na]+ 431.14652 210.3
[M+NH4]+ 426.19112 201.3
[M+K]+ 447.12046 205.2
[M-H]- 407.15002 198.2
[M+Na-2H]- 429.13197 197.7
[M]+ 408.15675 199.1
[M]- 408.15785 199.1
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

patents stripe