CID 44396085

Chembl187247

Structural Information

Molecular Formula
C23H24O5
SMILES
CC(=CCC/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=CC=C3)O)/C)C
InChI
InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19(26)20-21(27)16-8-5-9-17(24)22(16)28-23(15)20/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10-
InChIKey
PCKHKINJZFNYEO-UVTDQMKNSA-N
Compound name
4-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.16238 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16966 191.5
[M+Na]+ 403.15160 200.4
[M-H]- 379.15510 194.3
[M+NH4]+ 398.19620 202.8
[M+K]+ 419.12554 195.3
[M+H-H2O]+ 363.15964 184.2
[M+HCOO]- 425.16058 206.0
[M+CH3COO]- 439.17623 217.8
[M+Na-2H]- 401.13705 192.4
[M]+ 380.16183 196.4
[M]- 380.16293 196.4
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.