CID 42607718

2',6'-dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone

Structural Information

Molecular Formula
C18H18O7
SMILES
COC1=CC=C(C=C1)CCC(=O)C2=C(C3=C(C(=C2O)OC)OCO3)O
InChI
InChI=1S/C18H18O7/c1-22-11-6-3-10(4-7-11)5-8-12(19)13-14(20)16(23-2)18-17(15(13)21)24-9-25-18/h3-4,6-7,20-21H,5,8-9H2,1-2H3
InChIKey
LMGOCPVZRGMLEJ-UHFFFAOYSA-N
Compound name
1-(4,6-dihydroxy-7-methoxy-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10526 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11254 177.2
[M+Na]+ 369.09448 185.2
[M-H]- 345.09798 184.3
[M+NH4]+ 364.13908 189.4
[M+K]+ 385.06842 184.9
[M+H-H2O]+ 329.10252 170.7
[M+HCOO]- 391.10346 194.8
[M+CH3COO]- 405.11911 208.7
[M+Na-2H]- 367.07993 179.2
[M]+ 346.10471 184.2
[M]- 346.10581 184.2
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.