CID 42607872

5-methoxy-7-prenyloxyflavanone

Structural Information

Molecular Formula
C21H22O4
SMILES
CC(=CCOC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC)C
InChI
InChI=1S/C21H22O4/c1-14(2)9-10-24-16-11-19(23-3)21-17(22)13-18(25-20(21)12-16)15-7-5-4-6-8-15/h4-9,11-12,18H,10,13H2,1-3H3
InChIKey
OQDMTHUDYVQCEY-UHFFFAOYSA-N
Compound name
5-methoxy-7-(3-methylbut-2-enoxy)-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 180.5
[M+Na]+ 361.14102 187.1
[M-H]- 337.14452 188.3
[M+NH4]+ 356.18562 193.7
[M+K]+ 377.11496 184.3
[M+H-H2O]+ 321.14906 171.8
[M+HCOO]- 383.15000 198.5
[M+CH3COO]- 397.16565 213.1
[M+Na-2H]- 359.12647 182.7
[M]+ 338.15125 183.5
[M]- 338.15235 183.5
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.