CID 14463101

4beta-(2,4-dihydroxy-3-methoxyphenyl)fisetinidol

Structural Information

Molecular Formula
C22H20O8
SMILES
COC1=C(C=CC(=C1O)[C@@H]2[C@@H]([C@H](OC3=C2C=CC(=C3)O)C4=CC(=C(C=C4)O)O)O)O
InChI
InChI=1S/C22H20O8/c1-29-22-15(25)7-5-13(19(22)27)18-12-4-3-11(23)9-17(12)30-21(20(18)28)10-2-6-14(24)16(26)8-10/h2-9,18,20-21,23-28H,1H3/t18-,20+,21-/m1/s1
InChIKey
LJOUTPJWMNHIAA-HLAWJBBLSA-N
Compound name
(2R,3S,4S)-4-(2,4-dihydroxy-3-methoxyphenyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1158 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12308 195.8
[M+Na]+ 435.10502 203.2
[M-H]- 411.10852 200.6
[M+NH4]+ 430.14962 202.1
[M+K]+ 451.07896 200.3
[M+H-H2O]+ 395.11306 187.0
[M+HCOO]- 457.11400 206.4
[M+CH3COO]- 471.12965 217.9
[M+Na-2H]- 433.09047 195.6
[M]+ 412.11525 196.2
[M]- 412.11635 196.2
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.