CID 75072284

2',8-dihydroxy-3',4',5',7-tetramethoxyflavan

Structural Information

Molecular Formula
C19H22O7
SMILES
COC1=C(C2=C(CCC(O2)C3=CC(=C(C(=C3O)OC)OC)OC)C=C1)O
InChI
InChI=1S/C19H22O7/c1-22-13-8-6-10-5-7-12(26-17(10)16(13)21)11-9-14(23-2)18(24-3)19(25-4)15(11)20/h6,8-9,12,20-21H,5,7H2,1-4H3
InChIKey
XVWADHIDSZCAFC-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.13657 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14385 182.9
[M+Na]+ 385.12579 196.5
[M+NH4]+ 380.17039 189.1
[M+K]+ 401.09973 191.4
[M-H]- 361.12929 187.0
[M+Na-2H]- 383.11124 186.6
[M]+ 362.13602 186.0
[M]- 362.13712 186.0
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.