CID 11143678

5,7-dihydroxy-8-c-geranylflavanone

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC/C(=C/CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3)/C)C
InChI
InChI=1S/C25H28O4/c1-16(2)8-7-9-17(3)12-13-19-20(26)14-21(27)24-22(28)15-23(29-25(19)24)18-10-5-4-6-11-18/h4-6,8,10-12,14,23,26-27H,7,9,13,15H2,1-3H3/b17-12+
InChIKey
SPOAVFOKSZPUQS-SFQUDFHCSA-N
Compound name
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.19876 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 198.0
[M+Na]+ 415.18798 202.9
[M-H]- 391.19148 202.7
[M+NH4]+ 410.23258 207.7
[M+K]+ 431.16192 197.7
[M+H-H2O]+ 375.19602 189.7
[M+HCOO]- 437.19696 210.7
[M+CH3COO]- 451.21261 221.3
[M+Na-2H]- 413.17343 195.4
[M]+ 392.19821 197.9
[M]- 392.19931 197.9
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.