CID 21813969

5,7,4'-trimethoxyflavan

Structural Information

Molecular Formula
C18H20O4
SMILES
COC1=CC=C(C=C1)C2CCC3=C(O2)C=C(C=C3OC)OC
InChI
InChI=1S/C18H20O4/c1-19-13-6-4-12(5-7-13)16-9-8-15-17(21-3)10-14(20-2)11-18(15)22-16/h4-7,10-11,16H,8-9H2,1-3H3
InChIKey
NODOVAFZWHOGIU-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 168.8
[M+Na]+ 323.12539 176.4
[M-H]- 299.12889 177.1
[M+NH4]+ 318.16999 183.8
[M+K]+ 339.09933 175.0
[M+H-H2O]+ 283.13343 160.4
[M+HCOO]- 345.13437 188.5
[M+CH3COO]- 359.15002 205.3
[M+Na-2H]- 321.11084 173.8
[M]+ 300.13562 172.9
[M]- 300.13672 172.9
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

No patent data available for this compound.