CID 12019200

3',4'-dihydroxy-7-methoxy-8-prenyl-5''-(2-hydroxyisopropyl)-[2'',3'':5,6]furanoflavanone

Structural Information

Molecular Formula
C23H22O6
SMILES
CC(=CCC1=C(C2=C(C3=C1OC(CC3=O)C4=CC(=C(C=C4)O)O)OC=C2)OC)C
InChI
InChI=1S/C23H22O6/c1-12(2)4-6-14-21(27-3)15-8-9-28-22(15)20-18(26)11-19(29-23(14)20)13-5-7-16(24)17(25)10-13/h4-5,7-10,19,24-25H,6,11H2,1-3H3
InChIKey
POMYWCNEUNRBFJ-UHFFFAOYSA-N
Compound name
7-(3,4-dihydroxyphenyl)-4-methoxy-5-(3-methylbut-2-enyl)-7,8-dihydrofuro[2,3-f]chromen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.14163 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14891 193.7
[M+Na]+ 417.13085 203.0
[M-H]- 393.13435 202.0
[M+NH4]+ 412.17545 205.3
[M+K]+ 433.10479 200.2
[M+H-H2O]+ 377.13889 186.8
[M+HCOO]- 439.13983 209.0
[M+CH3COO]- 453.15548 221.0
[M+Na-2H]- 415.11630 194.0
[M]+ 394.14108 199.6
[M]- 394.14218 199.6
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.