CID 14282635

8-methoxypinocembrin 7-o-prenyl ether

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=CCOC1=C(C2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)O)OC)C
InChI
InChI=1S/C21H22O5/c1-13(2)9-10-25-18-12-16(23)19-15(22)11-17(14-7-5-4-6-8-14)26-21(19)20(18)24-3/h4-9,12,17,23H,10-11H2,1-3H3
InChIKey
RDYDGPWHUHFVIP-UHFFFAOYSA-N
Compound name
5-hydroxy-8-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

354.14673 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 183.5
[M+Na]+ 377.13595 190.4
[M-H]- 353.13945 190.3
[M+NH4]+ 372.18055 195.6
[M+K]+ 393.10989 187.6
[M+H-H2O]+ 337.14399 175.1
[M+HCOO]- 399.14493 200.2
[M+CH3COO]- 413.16058 214.3
[M+Na-2H]- 375.12140 184.8
[M]+ 354.14618 186.7
[M]- 354.14728 186.7
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.