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

1
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

patents stripe