CID 12302850

Chandalone

Structural Information

Molecular Formula
C25H24O5
SMILES
CC(=CCC1=C(C=CC(=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)O)C
InChI
InChI=1S/C25H24O5/c1-14(2)5-6-16-11-15(7-8-19(16)26)18-13-29-21-12-20-17(9-10-25(3,4)30-20)23(27)22(21)24(18)28/h5,7-13,26-27H,6H2,1-4H3
InChIKey
MSKODIWLGXEVTN-UHFFFAOYSA-N
Compound name
5-hydroxy-7-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.16238 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16966 199.3
[M+Na]+ 427.15160 209.2
[M-H]- 403.15510 207.3
[M+NH4]+ 422.19620 210.7
[M+K]+ 443.12554 205.9
[M+H-H2O]+ 387.15964 190.4
[M+HCOO]- 449.16058 212.8
[M+CH3COO]- 463.17623 224.5
[M+Na-2H]- 425.13705 202.0
[M]+ 404.16183 203.9
[M]- 404.16293 203.9
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.