CID 44260028

Gossypetin 7-methyl ether 8-acetate

Structural Information

Molecular Formula
C18H14O9
SMILES
CC(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)OC
InChI
InChI=1S/C18H14O9/c1-7(19)26-17-12(25-2)6-11(22)13-14(23)15(24)16(27-18(13)17)8-3-4-9(20)10(21)5-8/h3-6,20-22,24H,1-2H3
InChIKey
ATGKLATVDOAAOB-UHFFFAOYSA-N
Compound name
[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4-oxochromen-8-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.06378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07106 179.9
[M+Na]+ 397.05300 190.0
[M-H]- 373.05650 184.9
[M+NH4]+ 392.09760 189.4
[M+K]+ 413.02694 189.1
[M+H-H2O]+ 357.06104 172.0
[M+HCOO]- 419.06198 196.1
[M+CH3COO]- 433.07763 212.6
[M+Na-2H]- 395.03845 181.8
[M]+ 374.06323 186.6
[M]- 374.06433 186.6
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.