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

2
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

patents stripe