CID 12303802

Combretol

Structural Information

Molecular Formula
C20H20O8
SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3
InChIKey
SUNUQCQIFHHEOW-UHFFFAOYSA-N
Compound name
5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

23
Patents

388.1158 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12308 187.8
[M+Na]+ 411.10502 203.3
[M+NH4]+ 406.14962 193.3
[M+K]+ 427.07896 198.0
[M-H]- 387.10852 192.1
[M+Na-2H]- 409.09047 192.7
[M]+ 388.11525 191.3
[M]- 388.11635 191.3
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

patents stripe