CID 44260031

Gossypetin 3,7,3'-trimethyl ether 8-acetate

Structural Information

Molecular Formula
C20H18O9
SMILES
CC(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O)OC
InChI
InChI=1S/C20H18O9/c1-9(21)28-18-14(26-3)8-12(23)15-16(24)20(27-4)17(29-19(15)18)10-5-6-11(22)13(7-10)25-2/h5-8,22-23H,1-4H3
InChIKey
OZZUKUSXYKKYEX-UHFFFAOYSA-N
Compound name
[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4-oxochromen-8-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.0951 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10238 187.8
[M+Na]+ 425.08432 198.0
[M-H]- 401.08782 195.3
[M+NH4]+ 420.12892 197.6
[M+K]+ 441.05826 198.2
[M+H-H2O]+ 385.09236 179.1
[M+HCOO]- 447.09330 206.5
[M+CH3COO]- 461.10895 222.2
[M+Na-2H]- 423.06977 189.7
[M]+ 402.09455 198.7
[M]- 402.09565 198.7
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.