CID 13845970

7,3'-di-o-methylorobol

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C17H14O6/c1-21-10-6-13(19)16-15(7-10)23-8-11(17(16)20)9-3-4-12(18)14(5-9)22-2/h3-8,18-19H,1-2H3
InChIKey
NMQZMHHAWZDJOJ-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

314.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 168.5
[M+Na]+ 337.06826 184.6
[M+NH4]+ 332.11286 175.5
[M+K]+ 353.04220 178.7
[M-H]- 313.07176 173.3
[M+Na-2H]- 335.05371 175.1
[M]+ 314.07849 172.3
[M]- 314.07959 172.3
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

No patent data available for this compound.