CID 14704588

7-geranylformononetin

Structural Information

Molecular Formula
C26H28O4
SMILES
CC(=CCC/C(=C/COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC)/C)C
InChI
InChI=1S/C26H28O4/c1-18(2)6-5-7-19(3)14-15-29-22-12-13-23-25(16-22)30-17-24(26(23)27)20-8-10-21(28-4)11-9-20/h6,8-14,16-17H,5,7,15H2,1-4H3/b19-14+
InChIKey
NIHAJZITTDENLE-XMHGGMMESA-N
Compound name
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.19876 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20604 201.5
[M+Na]+ 427.18798 207.9
[M-H]- 403.19148 209.1
[M+NH4]+ 422.23258 211.9
[M+K]+ 443.16192 203.6
[M+H-H2O]+ 387.19602 191.9
[M+HCOO]- 449.19696 219.7
[M+CH3COO]- 463.21261 226.7
[M+Na-2H]- 425.17343 201.6
[M]+ 404.19821 207.6
[M]- 404.19931 207.6
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.