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]+ 347.112536 177.2
[M+Na]+ 369.094478 185.2
[M-H]- 345.097984 184.3
[M+NH4]+ 364.139083 189.4
[M+K]+ 385.068418 184.9
[M+H-H2O]+ 329.102520 170.7
[M+HCOO]- 391.103461 194.8
[M+CH3COO]- 405.119111 208.7
[M+Na-2H]- 367.079926 179.2
[M]+ 346.10471142 184.2
[M]- 346.10580858 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.