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]+ 409.164576 196.7
[M+Na]+ 431.146518 205.6
[M-H]- 407.150024 199.7
[M+NH4]+ 426.191123 206.8
[M+K]+ 447.120458 201.4
[M+H-H2O]+ 391.154560 189.5
[M+HCOO]- 453.155501 210.1
[M+CH3COO]- 467.171151 224.9
[M+Na-2H]- 429.131966 195.5
[M]+ 408.15675142 202.5
[M]- 408.15784858 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