CID 466290

4'-methoxy-6-carboxyflavanone

Structural Information

Molecular Formula
C17H12O5
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)C(=O)O
InChI
InChI=1S/C17H12O5/c1-21-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17(19)20)4-7-15(13)22-16/h2-9H,1H3,(H,19,20)
InChIKey
CXZTWQVDMUXTTB-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-oxochromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

296.06848 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 163.2
[M+Na]+ 319.05770 173.0
[M-H]- 295.06120 171.2
[M+NH4]+ 314.10230 177.5
[M+K]+ 335.03164 170.6
[M+H-H2O]+ 279.06574 155.3
[M+HCOO]- 341.06668 184.2
[M+CH3COO]- 355.08233 201.2
[M+Na-2H]- 317.04315 169.2
[M]+ 296.06793 167.6
[M]- 296.06903 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.