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]+ 405.169656 198.7
[M+Na]+ 427.151598 205.3
[M-H]- 403.155104 207.2
[M+NH4]+ 422.196203 207.6
[M+K]+ 443.125538 200.9
[M+H-H2O]+ 387.159640 188.5
[M+HCOO]- 449.160581 214.3
[M+CH3COO]- 463.176231 221.3
[M+Na-2H]- 425.137046 199.9
[M]+ 404.16183142 200.2
[M]- 404.16292858 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.