CID 42607679

2'-hydroxy-6'-methoxy-4'-prenyloxydihydrochalcone

Structural Information

Molecular Formula
C21H24O4
SMILES
CC(=CCOC1=CC(=C(C(=C1)OC)C(=O)CCC2=CC=CC=C2)O)C
InChI
InChI=1S/C21H24O4/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/h4-8,11,13-14,23H,9-10,12H2,1-3H3
InChIKey
ALFWEQDJMGZJNN-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-6-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16745 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.174726 182.3
[M+Na]+ 363.156668 187.9
[M-H]- 339.160174 187.3
[M+NH4]+ 358.201273 195.0
[M+K]+ 379.130608 183.9
[M+H-H2O]+ 323.164710 174.0
[M+HCOO]- 385.165651 202.0
[M+CH3COO]- 399.181301 211.6
[M+Na-2H]- 361.142116 181.7
[M]+ 340.16690142 186.1
[M]- 340.16799858 186.1
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.