CID 44258667

Cyclochampedol

Structural Information

Molecular Formula
C20H16O7
SMILES
CC(=CC1C2=C(C3=C(O1)C(=C(C=C3)O)O)OC4=CC(=CC(=C4C2=O)O)O)C
InChI
InChI=1S/C20H16O7/c1-8(2)5-13-16-18(25)15-12(23)6-9(21)7-14(15)26-19(16)10-3-4-11(22)17(24)20(10)27-13/h3-7,13,21-24H,1-2H3
InChIKey
SARPNRIRSXLADG-UHFFFAOYSA-N
Compound name
3,4,8,10-tetrahydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.0896 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09688 183.2
[M+Na]+ 391.07882 193.5
[M-H]- 367.08232 187.0
[M+NH4]+ 386.12342 193.9
[M+K]+ 407.05276 191.1
[M+H-H2O]+ 351.08686 176.0
[M+HCOO]- 413.08780 194.0
[M+CH3COO]- 427.10345 214.7
[M+Na-2H]- 389.06427 187.2
[M]+ 368.08905 187.2
[M]- 368.09015 187.2
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.