CID 13964549

Chrysoeriol 5-methyl ether

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C17H14O6/c1-21-14-5-9(3-4-11(14)19)13-8-12(20)17-15(22-2)6-10(18)7-16(17)23-13/h3-8,18-19H,1-2H3
InChIKey
JDMXMMBASFOTIF-UHFFFAOYSA-N
Compound name
7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

314.07904 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 167.8
[M+Na]+ 337.06826 178.7
[M-H]- 313.07176 175.1
[M+NH4]+ 332.11286 181.3
[M+K]+ 353.04220 176.6
[M+H-H2O]+ 297.07630 160.0
[M+HCOO]- 359.07724 188.1
[M+CH3COO]- 373.09289 203.6
[M+Na-2H]- 335.05371 173.2
[M]+ 314.07849 174.0
[M]- 314.07959 174.0
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