CID 25244080

(e)-2',4,4',6'-tetrahydroxy-3',5'-diprenylchalcone

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC1=C(C(=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C25H28O5/c1-15(2)5-12-19-23(28)20(13-6-16(3)4)25(30)22(24(19)29)21(27)14-9-17-7-10-18(26)11-8-17/h5-11,14,26,28-30H,12-13H2,1-4H3/b14-9+
InChIKey
DOJVDXBXUHQIRO-NTEUORMPSA-N
Compound name
(E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.19366 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20094 199.6
[M+Na]+ 431.18288 204.9
[M-H]- 407.18638 201.0
[M+NH4]+ 426.22748 208.0
[M+K]+ 447.15682 198.4
[M+H-H2O]+ 391.19092 192.3
[M+HCOO]- 453.19186 212.8
[M+CH3COO]- 467.20751 221.3
[M+Na-2H]- 429.16833 192.5
[M]+ 408.19311 199.9
[M]- 408.19421 199.9
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.