CID 44257181

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

Structural Information

Molecular Formula
C18H18O5
SMILES
CC1=CC2=C(C(=C1O)C)O[C@@H](CC2)C3=CC4=C(C=C3O)OCO4
InChI
InChI=1S/C18H18O5/c1-9-5-11-3-4-14(23-18(11)10(2)17(9)20)12-6-15-16(7-13(12)19)22-8-21-15/h5-7,14,19-20H,3-4,8H2,1-2H3/t14-/m0/s1
InChIKey
BXJVXSUYCLJDOQ-AWEZNQCLSA-N
Compound name
(2S)-2-(6-hydroxy-1,3-benzodioxol-5-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.11542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 171.6
[M+Na]+ 337.10464 180.7
[M-H]- 313.10814 180.3
[M+NH4]+ 332.14924 185.3
[M+K]+ 353.07858 179.7
[M+H-H2O]+ 297.11268 165.9
[M+HCOO]- 359.11362 185.6
[M+CH3COO]- 373.12927 183.3
[M+Na-2H]- 335.09009 175.0
[M]+ 314.11487 174.2
[M]- 314.11597 174.2
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.