CID 265723

2-(3,4-dimethoxyphenyl)-3-hydroxy-2,3-dimethoxy-2,3-dihydro-4h-chromen-4-one

Structural Information

Molecular Formula
C19H20O7
SMILES
COC1=C(C=C(C=C1)C2(C(C(=O)C3=CC=CC=C3O2)(O)OC)OC)OC
InChI
InChI=1S/C19H20O7/c1-22-15-10-9-12(11-16(15)23-2)19(25-4)18(21,24-3)17(20)13-7-5-6-8-14(13)26-19/h5-11,21H,1-4H3
InChIKey
JSZCHYIDMHAVMV-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3-hydroxy-2,3-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1209 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12818 179.1
[M+Na]+ 383.11012 188.5
[M-H]- 359.11362 186.9
[M+NH4]+ 378.15472 194.9
[M+K]+ 399.08406 188.5
[M+H-H2O]+ 343.11816 171.4
[M+HCOO]- 405.11910 197.5
[M+CH3COO]- 419.13475 212.5
[M+Na-2H]- 381.09557 185.8
[M]+ 360.12035 186.9
[M]- 360.12145 186.9
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.