CID 14137568

4'-hydroxy-5,7-dimethoxyflavan

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=CC2=C(CCC(O2)C3=CC=C(C=C3)O)C(=C1)OC
InChI
InChI=1S/C17H18O4/c1-19-13-9-16(20-2)14-7-8-15(21-17(14)10-13)11-3-5-12(18)6-4-11/h3-6,9-10,15,18H,7-8H2,1-2H3
InChIKey
AVMGPGZQJKDABF-UHFFFAOYSA-N
Compound name
4-(5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

286.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 164.4
[M+Na]+ 309.10972 179.4
[M+NH4]+ 304.15432 173.0
[M+K]+ 325.08366 172.2
[M-H]- 285.11322 170.4
[M+Na-2H]- 307.09517 171.3
[M]+ 286.11995 168.4
[M]- 286.12105 168.4
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