CID 442820

Sayanedine

Structural Information

Molecular Formula
C17H14O5
SMILES
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C17H14O5/c1-20-11-4-5-12-15(8-11)22-9-13(17(12)19)10-3-6-14(18)16(7-10)21-2/h3-9,18H,1-2H3
InChIKey
JSDXTLJPMLRQOB-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

298.08414 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 164.7
[M+Na]+ 321.07336 181.5
[M+NH4]+ 316.11796 172.6
[M+K]+ 337.04730 174.5
[M-H]- 297.07686 170.4
[M+Na-2H]- 319.05881 172.6
[M]+ 298.08359 168.9
[M]- 298.08469 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe