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

18
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 196.7
[M+Na]+ 431.14652 205.6
[M-H]- 407.15002 199.7
[M+NH4]+ 426.19112 206.8
[M+K]+ 447.12046 201.4
[M+H-H2O]+ 391.15456 189.5
[M+HCOO]- 453.15550 210.1
[M+CH3COO]- 467.17115 224.9
[M+Na-2H]- 429.13197 195.5
[M]+ 408.15675 202.5
[M]- 408.15785 202.5
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