CID 480809

3-(2,4-dimethoxy-phenoxy)-5-hydroxy-7-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one

Structural Information

Molecular Formula
C23H24O7
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)OC3=C(C=C(C=C3)OC)OC)OC)C
InChI
InChI=1S/C23H24O7/c1-13(2)6-8-15-17(27-4)11-19-21(22(15)24)23(25)20(12-29-19)30-16-9-7-14(26-3)10-18(16)28-5/h6-7,9-12,24H,8H2,1-5H3
InChIKey
SCDKRXSQTXBWBM-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenoxy)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.1522 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15948 196.9
[M+Na]+ 435.14142 206.0
[M-H]- 411.14492 204.8
[M+NH4]+ 430.18602 206.9
[M+K]+ 451.11536 204.4
[M+H-H2O]+ 395.14946 187.6
[M+HCOO]- 457.15040 215.8
[M+CH3COO]- 471.16605 226.8
[M+Na-2H]- 433.12687 197.8
[M]+ 412.15165 207.2
[M]- 412.15275 207.2
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.