CID 4213774

6,2',3'-trimethoxyflavanone

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=CC2=C(C=C1)OC(CC2=O)C3=C(C(=CC=C3)OC)OC
InChI
InChI=1S/C18H18O5/c1-20-11-7-8-15-13(9-11)14(19)10-17(23-15)12-5-4-6-16(21-2)18(12)22-3/h4-9,17H,10H2,1-3H3
InChIKey
VCOXKEDHNTZBAP-UHFFFAOYSA-N
Compound name
2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

314.11542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 170.3
[M+Na]+ 337.10464 185.5
[M+NH4]+ 332.14924 178.2
[M+K]+ 353.07858 178.5
[M-H]- 313.10814 176.0
[M+Na-2H]- 335.09009 176.7
[M]+ 314.11487 174.2
[M]- 314.11597 174.2
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