CID 14332441

2,3,4,5,2',3',4',6'-octamethoxychalcone

Structural Information

Molecular Formula
C23H28O9
SMILES
COC1=CC(=C(C(=C1C(=O)/C=C/C2=CC(=C(C(=C2OC)OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C23H28O9/c1-25-15-12-17(27-3)20(29-5)22(31-7)18(15)14(24)10-9-13-11-16(26-2)21(30-6)23(32-8)19(13)28-4/h9-12H,1-8H3/b10-9+
InChIKey
KQMYMHDMSRHGLM-MDZDMXLPSA-N
Compound name
(E)-3-(2,3,4,5-tetramethoxyphenyl)-1-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.17334 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.18062 200.4
[M+Na]+ 471.16256 208.8
[M-H]- 447.16606 207.9
[M+NH4]+ 466.20716 210.1
[M+K]+ 487.13650 209.3
[M+H-H2O]+ 431.17060 190.9
[M+HCOO]- 493.17154 222.4
[M+CH3COO]- 507.18719 236.3
[M+Na-2H]- 469.14801 198.0
[M]+ 448.17279 216.5
[M]- 448.17389 216.5
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.