CID 75072282

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

Structural Information

Molecular Formula
C19H22O6
SMILES
COC1=C(C2=C(CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC)C=C1)O
InChI
InChI=1S/C19H22O6/c1-21-14-8-6-11-5-7-13(25-18(11)17(14)20)12-9-15(22-2)19(24-4)16(10-12)23-3/h6,8-10,13,20H,5,7H2,1-4H3
InChIKey
SAGNKCOQTWVSNK-UHFFFAOYSA-N
Compound name
7-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-ol
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]+ 347.14891 179.4
[M+Na]+ 369.13085 193.7
[M+NH4]+ 364.17545 186.5
[M+K]+ 385.10479 187.5
[M-H]- 345.13435 184.4
[M+Na-2H]- 367.11630 184.4
[M]+ 346.14108 182.9
[M]- 346.14218 182.9
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.