CID 88881

5,7-dimethoxyflavone

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
JRFZSUMZAUHNSL-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

83
References

314
Patents

282.0892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 161.2
[M+Na]+ 305.078418 171.7
[M-H]- 281.081924 170.5
[M+NH4]+ 300.123023 177.1
[M+K]+ 321.052358 169.5
[M+H-H2O]+ 265.086460 153.0
[M+HCOO]- 327.087401 184.3
[M+CH3COO]- 341.103051 201.1
[M+Na-2H]- 303.063866 168.7
[M]+ 282.08865142 167.2
[M]- 282.08974858 167.2
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