CID 54100766

7-hydroxy-2',3',4'-trimethoxyisoflavan

Structural Information

Molecular Formula
C18H20O5
SMILES
COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)OC
InChI
InChI=1S/C18H20O5/c1-20-15-7-6-14(17(21-2)18(15)22-3)12-8-11-4-5-13(19)9-16(11)23-10-12/h4-7,9,12,19H,8,10H2,1-3H3
InChIKey
NAIULWLSYSLHJW-UHFFFAOYSA-N
Compound name
3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

316.13107 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe