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

1
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

patents stripe