CID 15491286

3,5,8,4'-tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone

Structural Information

Molecular Formula
C22H22O8
SMILES
CC(=CCC1=C(C2=C(C(=C1OC)O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O)C
InChI
InChI=1S/C22H22O8/c1-10(2)5-7-12-16(24)15-17(25)18(26)20(30-22(15)19(27)21(12)29-4)11-6-8-13(23)14(9-11)28-3/h5-6,8-9,23-24,26-27H,7H2,1-4H3
InChIKey
LTODEFQVMVALNP-UHFFFAOYSA-N
Compound name
3,5,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.13147 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13875 196.1
[M+Na]+ 437.12069 205.6
[M-H]- 413.12419 200.8
[M+NH4]+ 432.16529 204.4
[M+K]+ 453.09463 203.2
[M+H-H2O]+ 397.12873 188.0
[M+HCOO]- 459.12967 210.8
[M+CH3COO]- 473.14532 223.3
[M+Na-2H]- 435.10614 195.1
[M]+ 414.13092 203.1
[M]- 414.13202 203.1
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.