CID 75072281

5'-hydroxy-3',4',7,8-tetramethoxyflavan

Structural Information

Molecular Formula
C19H22O6
SMILES
COC1=C(C2=C(CCC(O2)C3=CC(=C(C(=C3)OC)OC)O)C=C1)OC
InChI
InChI=1S/C19H22O6/c1-21-15-8-6-11-5-7-14(25-17(11)19(15)24-4)12-9-13(20)18(23-3)16(10-12)22-2/h6,8-10,14,20H,5,7H2,1-4H3
InChIKey
YZRKAZJVZYMSAE-UHFFFAOYSA-N
Compound name
5-(7,8-dimethoxy-3,4-dihydro-2H-chromen-2-yl)-2,3-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14163 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.148906 179.5
[M+Na]+ 369.130848 187.5
[M-H]- 345.134354 186.9
[M+NH4]+ 364.175453 192.2
[M+K]+ 385.104788 186.7
[M+H-H2O]+ 329.138890 171.0
[M+HCOO]- 391.139831 197.5
[M+CH3COO]- 405.155481 213.0
[M+Na-2H]- 367.116296 182.4
[M]+ 346.14108142 185.9
[M]- 346.14217858 185.9
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.