CID 10070028

3'-geranylchalconaringenin

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C
InChI
InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-13-20-22(28)15-23(29)24(25(20)30)21(27)14-10-18-8-11-19(26)12-9-18/h5,7-12,14-15,26,28-30H,4,6,13H2,1-3H3/b14-10+,17-7+
InChIKey
GVXVZXDPRNGAOE-ZCFXJLACSA-N
Compound name
(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

36
Patents

408.19366 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.200936 200.4
[M+Na]+ 431.182878 204.9
[M-H]- 407.186384 201.4
[M+NH4]+ 426.227483 208.5
[M+K]+ 447.156818 198.2
[M+H-H2O]+ 391.190920 192.9
[M+HCOO]- 453.191861 213.7
[M+CH3COO]- 467.207511 219.9
[M+Na-2H]- 429.168326 193.9
[M]+ 408.19311142 200.2
[M]- 408.19420858 200.2
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

patents stripe