CID 13834106

6'-hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone

Structural Information

Molecular Formula
C22H26O9
SMILES
COC1=C(C(=C(C(=C1)/C=C/C(=O)C2=C(C(=C(C=C2O)OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C22H26O9/c1-25-15-10-12(18(27-3)22(31-7)20(15)29-5)8-9-13(23)17-14(24)11-16(26-2)19(28-4)21(17)30-6/h8-11,24H,1-7H3/b9-8+
InChIKey
DZPUYWIGWGXFFP-CMDGGOBGSA-N
Compound name
(E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.15768 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.16496 196.5
[M+Na]+ 457.14690 204.9
[M-H]- 433.15040 202.9
[M+NH4]+ 452.19150 206.1
[M+K]+ 473.12084 204.8
[M+H-H2O]+ 417.15494 187.5
[M+HCOO]- 479.15588 217.3
[M+CH3COO]- 493.17153 231.3
[M+Na-2H]- 455.13235 194.2
[M]+ 434.15713 210.5
[M]- 434.15823 210.5
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.