CID 13886678

Sativanone

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC
InChI
InChI=1S/C17H16O5/c1-20-11-4-6-12(15(8-11)21-2)14-9-22-16-7-10(18)3-5-13(16)17(14)19/h3-8,14,18H,9H2,1-2H3
InChIKey
JOVYBWHPTQRVNZ-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

55
Patents

300.09976 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.3
[M+Na]+ 323.08898 181.2
[M+NH4]+ 318.13358 174.1
[M+K]+ 339.06292 174.8
[M-H]- 299.09248 171.6
[M+Na-2H]- 321.07443 172.5
[M]+ 300.09921 170.0
[M]- 300.10031 170.0
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