CID 42607676

2',4',6'-trihydroxy-3'-prenyldihydrochalcone

Structural Information

Molecular Formula
C20H22O4
SMILES
CC(=CCC1=C(C(=C(C=C1O)O)C(=O)CCC2=CC=CC=C2)O)C
InChI
InChI=1S/C20H22O4/c1-13(2)8-10-15-17(22)12-18(23)19(20(15)24)16(21)11-9-14-6-4-3-5-7-14/h3-8,12,22-24H,9-11H2,1-2H3
InChIKey
PFRVXBMLBGFRRU-UHFFFAOYSA-N
Compound name
3-phenyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.1518 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15908 177.9
[M+Na]+ 349.14102 184.0
[M-H]- 325.14452 180.7
[M+NH4]+ 344.18562 190.1
[M+K]+ 365.11496 178.7
[M+H-H2O]+ 309.14906 170.7
[M+HCOO]- 371.15000 194.9
[M+CH3COO]- 385.16565 205.3
[M+Na-2H]- 347.12647 176.2
[M]+ 326.15125 178.2
[M]- 326.15235 178.2
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