CID 360323

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

Structural Information

Molecular Formula
C22H26O9
SMILES
COC1=CC(=C(C=C1C(=O)CC(=O)C2=CC(=C(C(=C2OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C22H26O9/c1-25-16-11-18(27-3)17(26-2)8-12(16)14(23)10-15(24)13-9-19(28-4)21(30-6)22(31-7)20(13)29-5/h8-9,11H,10H2,1-7H3
InChIKey
CHVACGOOXOYUAE-UHFFFAOYSA-N
Compound name
1-(2,3,4,5-tetramethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.15768 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.16496 195.7
[M+Na]+ 457.14690 203.4
[M-H]- 433.15040 203.1
[M+NH4]+ 452.19150 205.6
[M+K]+ 473.12084 204.5
[M+H-H2O]+ 417.15494 186.5
[M+HCOO]- 479.15588 217.1
[M+CH3COO]- 493.17153 233.6
[M+Na-2H]- 455.13235 193.4
[M]+ 434.15713 210.6
[M]- 434.15823 210.6
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.