CID 11588678

Chembl4207357

Structural Information

Molecular Formula
C22H22O5
SMILES
CC(=CCOC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC)OC)C
InChI
InChI=1S/C22H22O5/c1-14(2)11-12-26-19-10-9-17-20(23)18(13-27-21(17)22(19)25-4)15-5-7-16(24-3)8-6-15/h5-11,13H,12H2,1-4H3
InChIKey
UFWIVSMNKNIQMW-UHFFFAOYSA-N
Compound name
8-methoxy-3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

366.14673 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 186.8
[M+Na]+ 389.13595 195.6
[M-H]- 365.13945 195.5
[M+NH4]+ 384.18055 199.2
[M+K]+ 405.10989 193.2
[M+H-H2O]+ 349.14399 177.6
[M+HCOO]- 411.14493 207.4
[M+CH3COO]- 425.16058 218.9
[M+Na-2H]- 387.12140 189.7
[M]+ 366.14618 194.8
[M]- 366.14728 194.8
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.