CID 44260029

Gossypetin 7,4'-dimethyl ether 8-acetate

Structural Information

Molecular Formula
C19H16O9
SMILES
CC(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC(=C(C=C3)OC)O)O)OC
InChI
InChI=1S/C19H16O9/c1-8(20)27-18-13(26-3)7-11(22)14-15(23)16(24)17(28-19(14)18)9-4-5-12(25-2)10(21)6-9/h4-7,21-22,24H,1-3H3
InChIKey
CJTMOVDQHLCWIJ-UHFFFAOYSA-N
Compound name
[3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxochromen-8-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.07944 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08672 183.8
[M+Na]+ 411.06866 193.9
[M-H]- 387.07216 190.1
[M+NH4]+ 406.11326 193.4
[M+K]+ 427.04260 193.6
[M+H-H2O]+ 371.07670 175.5
[M+HCOO]- 433.07764 201.3
[M+CH3COO]- 447.09329 217.4
[M+Na-2H]- 409.05411 185.8
[M]+ 388.07889 192.6
[M]- 388.07999 192.6
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.