CID 14394138

7-hydroxy-2',4',5'-trimethoxyisoflavan

Structural Information

Molecular Formula
C18H20O5
SMILES
COC1=CC(=C(C=C1C2CC3=C(C=C(C=C3)O)OC2)OC)OC
InChI
InChI=1S/C18H20O5/c1-20-16-9-18(22-3)17(21-2)8-14(16)12-6-11-4-5-13(19)7-15(11)23-10-12/h4-5,7-9,12,19H,6,10H2,1-3H3
InChIKey
RXXVCVOYIGXBFH-UHFFFAOYSA-N
Compound name
3-(2,4,5-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 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

No literature data available for this compound.

Patent stripe

patents stripe