CID 75072279

5'-hydroxy-3',4',7-trimethoxyflavan

Structural Information

Molecular Formula
C18H20O5
SMILES
COC1=CC2=C(CCC(O2)C3=CC(=C(C(=C3)OC)OC)O)C=C1
InChI
InChI=1S/C18H20O5/c1-20-13-6-4-11-5-7-15(23-16(11)10-13)12-8-14(19)18(22-3)17(9-12)21-2/h4,6,8-10,15,19H,5,7H2,1-3H3
InChIKey
NOBIKWFGKRXGGQ-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13107 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 171.9
[M+Na]+ 339.12029 186.5
[M+NH4]+ 334.16489 179.8
[M+K]+ 355.09423 179.9
[M-H]- 315.12379 177.4
[M+Na-2H]- 337.10574 177.8
[M]+ 316.13052 175.7
[M]- 316.13162 175.7
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.