CID 5281700

Tambulin

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O
InChI
InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-15(21)14(20)13-11(19)8-12(23-2)17(24-3)18(13)25-16/h4-8,19,21H,1-3H3
InChIKey
KAPZSMYEZDLAFB-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

22
Patents

344.0896 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 176.3
[M+Na]+ 367.07882 191.9
[M+NH4]+ 362.12342 182.4
[M+K]+ 383.05276 186.5
[M-H]- 343.08232 180.6
[M+Na-2H]- 365.06427 181.8
[M]+ 344.08905 179.8
[M]- 344.09015 179.8
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