CID 14259002

5,7-dihydroxy-4'-methoxy-8-c-prenylflavanone

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(26-21(15)20)13-5-7-14(25-3)8-6-13/h4-8,10,19,22-23H,9,11H2,1-3H3
InChIKey
CTFJUDTWKJHYNX-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

354.14673 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 183.8
[M+Na]+ 377.13595 191.2
[M-H]- 353.13945 189.6
[M+NH4]+ 372.18055 195.5
[M+K]+ 393.10989 187.7
[M+H-H2O]+ 337.14399 176.0
[M+HCOO]- 399.14493 198.9
[M+CH3COO]- 413.16058 213.5
[M+Na-2H]- 375.12140 184.0
[M]+ 354.14618 185.7
[M]- 354.14728 185.7
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.