CID 44260030

Gossypetin 7,4'-dimethyl ether 8-butyrate

Structural Information

Molecular Formula
C21H20O9
SMILES
CCCC(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC(=C(C=C3)OC)O)O)OC
InChI
InChI=1S/C21H20O9/c1-4-5-15(24)29-20-14(28-3)9-12(23)16-17(25)18(26)19(30-21(16)20)10-6-7-13(27-2)11(22)8-10/h6-9,22-23,26H,4-5H2,1-3H3
InChIKey
HYDIJDDPYJAFHX-UHFFFAOYSA-N
Compound name
[3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxochromen-8-yl] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.11072 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11800 193.1
[M+Na]+ 439.09994 202.2
[M-H]- 415.10344 198.9
[M+NH4]+ 434.14454 201.5
[M+K]+ 455.07388 201.6
[M+H-H2O]+ 399.10798 184.3
[M+HCOO]- 461.10892 209.8
[M+CH3COO]- 475.12457 223.2
[M+Na-2H]- 437.08539 194.0
[M]+ 416.11017 202.5
[M]- 416.11127 202.5
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.