CID 44257183

2'-hydroxy-7-methoxy-4',5'-methylenedioxyflavan

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC2=C(CC[C@H](O2)C3=CC4=C(C=C3O)OCO4)C=C1
InChI
InChI=1S/C17H16O5/c1-19-11-4-2-10-3-5-14(22-15(10)6-11)12-7-16-17(8-13(12)18)21-9-20-16/h2,4,6-8,14,18H,3,5,9H2,1H3/t14-/m0/s1
InChIKey
SEXFFYIXMCVNNG-AWEZNQCLSA-N
Compound name
6-[(2S)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]-1,3-benzodioxol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09976 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 165.0
[M+Na]+ 323.08898 173.2
[M-H]- 299.09248 174.3
[M+NH4]+ 318.13358 179.3
[M+K]+ 339.06292 173.1
[M+H-H2O]+ 283.09702 158.7
[M+HCOO]- 345.09796 180.9
[M+CH3COO]- 359.11361 177.1
[M+Na-2H]- 321.07443 170.6
[M]+ 300.09921 168.0
[M]- 300.10031 168.0
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.