CID 10318361

4'-geranyloxy-4,2'-dihydroxychalcone

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC/C(=C/COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C
InChI
InChI=1S/C25H28O4/c1-18(2)5-4-6-19(3)15-16-29-22-12-13-23(25(28)17-22)24(27)14-9-20-7-10-21(26)11-8-20/h5,7-15,17,26,28H,4,6,16H2,1-3H3/b14-9+,19-15+
InChIKey
YGNHPWQWWZLUBY-UHGDPLQBSA-N
Compound name
(E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

392.19876 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 198.2
[M+Na]+ 415.18798 202.0
[M-H]- 391.19148 201.1
[M+NH4]+ 410.23258 207.9
[M+K]+ 431.16192 195.7
[M+H-H2O]+ 375.19602 189.8
[M+HCOO]- 437.19696 214.3
[M+CH3COO]- 451.21261 219.2
[M+Na-2H]- 413.17343 193.8
[M]+ 392.19821 199.4
[M]- 392.19931 199.4
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