CID 42607641

Kanzonol a

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCC1=C(C=CC(=C1)C(=O)CC(=O)C2=C(C=C(C=C2)O)O)O)C
InChI
InChI=1S/C20H20O5/c1-12(2)3-4-13-9-14(5-8-17(13)22)18(23)11-20(25)16-7-6-15(21)10-19(16)24/h3,5-10,21-22,24H,4,11H2,1-2H3
InChIKey
PSBQRXSCIFYKAX-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

340.13107 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.0
[M+Na]+ 363.12029 184.8
[M-H]- 339.12379 181.8
[M+NH4]+ 358.16489 190.3
[M+K]+ 379.09423 180.3
[M+H-H2O]+ 323.12833 171.7
[M+HCOO]- 385.12927 195.3
[M+CH3COO]- 399.14492 207.8
[M+Na-2H]- 361.10574 176.2
[M]+ 340.13052 179.3
[M]- 340.13162 179.3
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