CID 131752791

(e)-2'-geranyl-3',4',7-trihydroxyflavanone

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC/C(=C\CC1=C(C=CC(=C1O)O)C2CC(=O)C3=C(O2)C=C(C=C3)O)/C)C
InChI
InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-9-19-18(11-12-21(27)25(19)29)24-14-22(28)20-10-8-17(26)13-23(20)30-24/h5,7-8,10-13,24,26-27,29H,4,6,9,14H2,1-3H3/b16-7-
InChIKey
RCYMAXCAVMNZBM-APSNUPSMSA-N
Compound name
2-[2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.19366 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20094 200.9
[M+Na]+ 431.18288 212.6
[M+NH4]+ 426.22748 205.7
[M+K]+ 447.15682 206.6
[M-H]- 407.18638 203.9
[M+Na-2H]- 429.16833 202.5
[M]+ 408.19311 203.2
[M]- 408.19421 203.2
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.