CID 129848680

2-(3,4-dimethoxyphenyl)-3,5,6,8-tetramethoxy-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C21H22O8
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=CC(=C3OC)OC)OC)OC)OC
InChI
InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-19(27-5)14(25-3)10-15(26-4)20(16)29-18/h7-10H,1-6H3
InChIKey
FONKMEBARQKMEH-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3,5,6,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

402.13147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.138746 190.8
[M+Na]+ 425.120688 201.8
[M-H]- 401.124194 200.7
[M+NH4]+ 420.165293 202.2
[M+K]+ 441.094628 202.4
[M+H-H2O]+ 385.128730 181.3
[M+HCOO]- 447.129671 212.8
[M+CH3COO]- 461.145321 227.1
[M+Na-2H]- 423.106136 193.9
[M]+ 402.13092142 205.5
[M]- 402.13201858 205.5
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