CID 15385488

2',4',4-trihydroxy-3',3-methoxychalcone

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C(=C(C=C2)O)OC)O)O
InChI
InChI=1S/C17H16O6/c1-22-15-9-10(4-7-13(15)19)3-6-12(18)11-5-8-14(20)17(23-2)16(11)21/h3-9,19-21H,1-2H3/b6-3+
InChIKey
ZAVWFOFRECTXEE-ZZXKWVIFSA-N
Compound name
(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 169.7
[M+Na]+ 339.08392 177.8
[M-H]- 315.08742 173.3
[M+NH4]+ 334.12852 182.4
[M+K]+ 355.05786 174.2
[M+H-H2O]+ 299.09196 162.4
[M+HCOO]- 361.09290 189.0
[M+CH3COO]- 375.10855 201.3
[M+Na-2H]- 337.06937 170.2
[M]+ 316.09415 172.8
[M]- 316.09525 172.8
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.