CID 44257200

4'-hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan

Structural Information

Molecular Formula
C25H24O5
SMILES
COC1=CC2=C([C@H](C[C@@H](O2)C3=CC=C(C=C3)O)/C=C/C4=CC=C(C=C4)O)C(=C1)OC
InChI
InChI=1S/C25H24O5/c1-28-21-14-23(29-2)25-18(6-3-16-4-9-19(26)10-5-16)13-22(30-24(25)15-21)17-7-11-20(27)12-8-17/h3-12,14-15,18,22,26-27H,13H2,1-2H3/b6-3+/t18-,22+/m0/s1
InChIKey
PEFRTDSZTRQEAJ-YSDILOFCSA-N
Compound name
4-[(E)-2-[(2R,4R)-2-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.16238 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16966 198.7
[M+Na]+ 427.15160 205.3
[M-H]- 403.15510 207.2
[M+NH4]+ 422.19620 207.6
[M+K]+ 443.12554 200.9
[M+H-H2O]+ 387.15964 188.5
[M+HCOO]- 449.16058 214.3
[M+CH3COO]- 463.17623 221.3
[M+Na-2H]- 425.13705 199.9
[M]+ 404.16183 200.2
[M]- 404.16293 200.2
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

No patent data available for this compound.