CID 44257195

5,2'-dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan

Structural Information

Molecular Formula
C19H20O6
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(CC2)C3=CC4=C(C=C3O)OCO4)O
InChI
InChI=1S/C19H20O6/c1-9-17(21)11-4-5-14(25-19(11)10(2)18(9)22-3)12-6-15-16(7-13(12)20)24-8-23-15/h6-7,14,20-21H,4-5,8H2,1-3H3
InChIKey
OOZKPSALBMDMMI-UHFFFAOYSA-N
Compound name
2-(6-hydroxy-1,3-benzodioxol-5-yl)-7-methoxy-6,8-dimethyl-3,4-dihydro-2H-chromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 179.6
[M+Na]+ 367.11520 188.8
[M-H]- 343.11870 188.4
[M+NH4]+ 362.15980 192.2
[M+K]+ 383.08914 188.4
[M+H-H2O]+ 327.12324 173.6
[M+HCOO]- 389.12418 193.2
[M+CH3COO]- 403.13983 190.9
[M+Na-2H]- 365.10065 181.9
[M]+ 344.12543 184.3
[M]- 344.12653 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.