CID 15458308

7,8-dimethoxyflavanone

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=C(C2=C(C=C1)C(=O)CC(O2)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H16O4/c1-19-14-9-8-12-13(18)10-15(11-6-4-3-5-7-11)21-16(12)17(14)20-2/h3-9,15H,10H2,1-2H3
InChIKey
FBVLIZHTSCLZRG-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 162.7
[M+Na]+ 307.094078 171.1
[M-H]- 283.097584 171.2
[M+NH4]+ 302.138683 178.3
[M+K]+ 323.068018 169.3
[M+H-H2O]+ 267.102120 154.6
[M+HCOO]- 329.103061 183.0
[M+CH3COO]- 343.118711 201.7
[M+Na-2H]- 305.079526 168.3
[M]+ 284.10431142 165.9
[M]- 284.10540858 165.9
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