CID 42607723

Alpha,4,2'-trihydroxy-4-o-geranyldihydrochalcone

Structural Information

Molecular Formula
C24H28O5
SMILES
CC(=CC/C(=C/COC1=CC(=C(C=C1)C(=O)C(CC2=CC=C(C=C2)O)O)O)/C)C
InChI
InChI=1S/C24H28O5/c1-16(2)4-5-17(3)12-13-29-20-10-11-21(22(26)15-20)24(28)23(27)14-18-6-8-19(25)9-7-18/h4,6-12,15,23,25-27H,5,13-14H2,1-3H3/b17-12+
InChIKey
VDTQLOASZLCFCY-SFQUDFHCSA-N
Compound name
1-[4-[(2E)-3,6-dimethylhepta-2,5-dienoxy]-2-hydroxyphenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.19366 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20094 197.6
[M+Na]+ 419.18288 200.5
[M-H]- 395.18638 199.3
[M+NH4]+ 414.22748 206.2
[M+K]+ 435.15682 195.7
[M+H-H2O]+ 379.19092 189.5
[M+HCOO]- 441.19186 211.5
[M+CH3COO]- 455.20751 218.5
[M+Na-2H]- 417.16833 192.2
[M]+ 396.19311 198.2
[M]- 396.19421 198.2
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

No patent data available for this compound.