CID 265713

70479-42-4

Structural Information

Molecular Formula
C20H22O8
SMILES
COC1=CC2=C(C=C1)C(=O)C(C(O2)(C3=CC(=C(C=C3)OC)OC)OC)(O)OC
InChI
InChI=1S/C20H22O8/c1-23-13-7-8-14-16(11-13)28-20(27-5,19(22,26-4)18(14)21)12-6-9-15(24-2)17(10-12)25-3/h6-11,22H,1-5H3
InChIKey
PLONMEOULHBJFT-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,7-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.13147 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13875 185.2
[M+Na]+ 413.12069 194.7
[M-H]- 389.12419 193.1
[M+NH4]+ 408.16529 200.0
[M+K]+ 429.09463 195.5
[M+H-H2O]+ 373.12873 177.4
[M+HCOO]- 435.12967 203.3
[M+CH3COO]- 449.14532 219.1
[M+Na-2H]- 411.10614 191.1
[M]+ 390.13092 195.3
[M]- 390.13202 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.