CID 44258358

Artonin u

Structural Information

Molecular Formula
C21H20O5
SMILES
CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)OC)C
InChI
InChI=1S/C21H20O5/c1-12(2)4-9-15-19(25-3)11-17(24)20-16(23)10-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10-11,22,24H,9H2,1-3H3
InChIKey
BSZYNZDGUZYMDL-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 182.5
[M+Na]+ 375.12029 197.9
[M+NH4]+ 370.16489 188.9
[M+K]+ 391.09423 191.2
[M-H]- 351.12379 187.2
[M+Na-2H]- 373.10574 188.0
[M]+ 352.13052 186.1
[M]- 352.13162 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.