CID 14527029

2'-hydroxy-6'-methoxy-4'-prenyloxychalcone

Structural Information

Molecular Formula
C21H22O4
SMILES
CC(=CCOC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=CC=C2)O)C
InChI
InChI=1S/C21H22O4/c1-15(2)11-12-25-17-13-19(23)21(20(14-17)24-3)18(22)10-9-16-7-5-4-6-8-16/h4-11,13-14,23H,12H2,1-3H3/b10-9+
InChIKey
IWBMROHTOJZYOJ-MDZDMXLPSA-N
Compound name
(E)-1-[2-hydroxy-6-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

338.1518 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 181.1
[M+Na]+ 361.14102 187.1
[M-H]- 337.14452 186.2
[M+NH4]+ 356.18562 193.9
[M+K]+ 377.11496 182.5
[M+H-H2O]+ 321.14906 173.0
[M+HCOO]- 383.15000 201.0
[M+CH3COO]- 397.16565 210.2
[M+Na-2H]- 359.12647 180.5
[M]+ 338.15125 184.2
[M]- 338.15235 184.2
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