CID 10337542

2'-hydroxy-2,3,4',6'-tetramethoxychalcone

Structural Information

Molecular Formula
C19H20O6
SMILES
COC1=CC=CC(=C1OC)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O
InChI
InChI=1S/C19H20O6/c1-22-13-10-15(21)18(17(11-13)24-3)14(20)9-8-12-6-5-7-16(23-2)19(12)25-4/h5-11,21H,1-4H3/b9-8+
InChIKey
LYUYMCWIWGASRX-CMDGGOBGSA-N
Compound name
(E)-3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

344.12598 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 177.7
[M+Na]+ 367.11520 185.8
[M-H]- 343.11870 183.7
[M+NH4]+ 362.15980 190.7
[M+K]+ 383.08914 183.4
[M+H-H2O]+ 327.12324 169.5
[M+HCOO]- 389.12418 199.3
[M+CH3COO]- 403.13983 211.7
[M+Na-2H]- 365.10065 178.2
[M]+ 344.12543 185.1
[M]- 344.12653 185.1
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