CID 44259702

2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C20H20O7
SMILES
CC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC)OC
InChI
InChI=1S/C20H20O7/c1-10-13(24-3)9-15-16(17(10)21)18(22)20(26-5)19(27-15)11-6-7-12(23-2)14(8-11)25-4/h6-9,21H,1-5H3
InChIKey
AWXHAWRTEQFRHZ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1209 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 184.1
[M+Na]+ 395.11012 195.5
[M-H]- 371.11362 192.9
[M+NH4]+ 390.15472 196.3
[M+K]+ 411.08406 194.6
[M+H-H2O]+ 355.11816 175.4
[M+HCOO]- 417.11910 204.9
[M+CH3COO]- 431.13475 219.8
[M+Na-2H]- 393.09557 187.1
[M]+ 372.12035 195.3
[M]- 372.12145 195.3
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.