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]+ 297.075756 163.2
[M+Na]+ 319.057698 173.0
[M-H]- 295.061204 171.2
[M+NH4]+ 314.102303 177.5
[M+K]+ 335.031638 170.6
[M+H-H2O]+ 279.065740 155.3
[M+HCOO]- 341.066681 184.2
[M+CH3COO]- 355.082331 201.2
[M+Na-2H]- 317.043146 169.2
[M]+ 296.06793142 167.6
[M]- 296.06902858 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

literature stripe

Patent stripe

patents stripe