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]+ 381.169656 191.5
[M+Na]+ 403.151598 200.4
[M-H]- 379.155104 194.3
[M+NH4]+ 398.196203 202.8
[M+K]+ 419.125538 195.3
[M+H-H2O]+ 363.159640 184.2
[M+HCOO]- 425.160581 206.0
[M+CH3COO]- 439.176231 217.8
[M+Na-2H]- 401.137046 192.4
[M]+ 380.16183142 196.4
[M]- 380.16292858 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.