CID 584467

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

Structural Information

Molecular Formula
C18H20O5
SMILES
COC1=CC=C(C=C1)C2CC(C3=C(O2)C=C(C=C3OC)OC)O
InChI
InChI=1S/C18H20O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,14-15,19H,10H2,1-3H3
InChIKey
XCMICCXLNOOUBF-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

316.13107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 172.0
[M+Na]+ 339.12029 179.9
[M-H]- 315.12379 179.3
[M+NH4]+ 334.16489 185.8
[M+K]+ 355.09423 178.4
[M+H-H2O]+ 299.12833 163.9
[M+HCOO]- 361.12927 190.3
[M+CH3COO]- 375.14492 206.5
[M+Na-2H]- 337.10574 176.0
[M]+ 316.13052 176.3
[M]- 316.13162 176.3
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

patents stripe