CID 21636239

2',4'-dihydroxy-2,3',6'-trimethoxychalcone

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C(=C2O)OC)O)OC
InChI
InChI=1S/C18H18O6/c1-22-14-7-5-4-6-11(14)8-9-12(19)16-15(23-2)10-13(20)18(24-3)17(16)21/h4-10,20-21H,1-3H3/b9-8+
InChIKey
CRKKMWPCJTZZRE-CMDGGOBGSA-N
Compound name
(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 173.6
[M+Na]+ 353.09957 181.8
[M-H]- 329.10307 178.5
[M+NH4]+ 348.14417 186.5
[M+K]+ 369.07351 178.7
[M+H-H2O]+ 313.10761 165.9
[M+HCOO]- 375.10855 194.1
[M+CH3COO]- 389.12420 206.5
[M+Na-2H]- 351.08502 174.2
[M]+ 330.10980 178.9
[M]- 330.11090 178.9
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.