CID 44257196

7-hydroxy-5,4'-dimethoxyflavan

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=CC=C(C=C1)[C@@H]2CCC3=C(O2)C=C(C=C3OC)O
InChI
InChI=1S/C17H18O4/c1-19-13-5-3-11(4-6-13)15-8-7-14-16(20-2)9-12(18)10-17(14)21-15/h3-6,9-10,15,18H,7-8H2,1-2H3/t15-/m0/s1
InChIKey
PVKZZNPKFFWKRA-HNNXBMFYSA-N
Compound name
(2S)-5-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 164.3
[M+Na]+ 309.10972 172.0
[M-H]- 285.11322 171.4
[M+NH4]+ 304.15432 179.2
[M+K]+ 325.08366 169.9
[M+H-H2O]+ 269.11776 156.5
[M+HCOO]- 331.11870 182.9
[M+CH3COO]- 345.13435 200.0
[M+Na-2H]- 307.09517 169.5
[M]+ 286.11995 166.4
[M]- 286.12105 166.4
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

No patent data available for this compound.