CID 5379071

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

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O)O
InChI
InChI=1S/C18H18O6/c1-22-12-9-15(21)18(17(10-12)24-3)13(19)6-4-11-5-7-16(23-2)14(20)8-11/h4-10,20-21H,1-3H3/b6-4+
InChIKey
WMOWJHFPSNZXSK-GQCTYLIASA-N
Compound name
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
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

patents stripe