CID 42607677

2',6'-dihydroxy-4'-methoxy-3'-prenyldihydrochalcone

Structural Information

Molecular Formula
C21H24O4
SMILES
CC(=CCC1=C(C=C(C(=C1O)C(=O)CCC2=CC=CC=C2)O)OC)C
InChI
InChI=1S/C21H24O4/c1-14(2)9-11-16-19(25-3)13-18(23)20(21(16)24)17(22)12-10-15-7-5-4-6-8-15/h4-9,13,23-24H,10-12H2,1-3H3
InChIKey
NFNFQMVDSPQKGD-UHFFFAOYSA-N
Compound name
1-[2,6-dihydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16745 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17473 182.0
[M+Na]+ 363.15667 188.1
[M-H]- 339.16017 186.0
[M+NH4]+ 358.20127 194.3
[M+K]+ 379.13061 183.4
[M+H-H2O]+ 323.16471 174.3
[M+HCOO]- 385.16565 200.2
[M+CH3COO]- 399.18130 210.5
[M+Na-2H]- 361.14212 180.2
[M]+ 340.16690 184.4
[M]- 340.16800 184.4
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

No patent data available for this compound.