CID 44260045

5,8-dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate

Structural Information

Molecular Formula
C22H22O10
SMILES
CC(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=C(C(=C(C=C3)OC)OC)OC)O)OC
InChI
InChI=1S/C22H22O10/c1-10(23)31-20-14(27-3)9-12(24)15-16(25)22(30-6)18(32-21(15)20)11-7-8-13(26-2)19(29-5)17(11)28-4/h7-9,24H,1-6H3
InChIKey
LGSBUEVZHHWMRT-UHFFFAOYSA-N
Compound name
[5-hydroxy-3,7-dimethoxy-4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1213 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.12858 198.5
[M+Na]+ 469.11052 208.5
[M-H]- 445.11402 207.2
[M+NH4]+ 464.15512 207.2
[M+K]+ 485.08446 210.3
[M+H-H2O]+ 429.11856 188.9
[M+HCOO]- 491.11950 217.9
[M+CH3COO]- 505.13515 233.8
[M+Na-2H]- 467.09597 199.4
[M]+ 446.12075 213.6
[M]- 446.12185 213.6
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.