CID 42607626

4,2',6'-trihydroxy-3,4'-dimethoxychalcone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

patents stripe