CID 5271549

3-hydroxy-2-(4-methoxyphenyl)-4-oxo-chromane-6-carboxylic acid

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=CC(=C3)C(=O)O)O
InChI
InChI=1S/C17H14O6/c1-22-11-5-2-9(3-6-11)16-15(19)14(18)12-8-10(17(20)21)4-7-13(12)23-16/h2-8,15-16,19H,1H3,(H,20,21)
InChIKey
ZPWMZHMIKKJSFN-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07904 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 167.6
[M+Na]+ 337.06826 175.6
[M-H]- 313.07176 173.8
[M+NH4]+ 332.11286 180.5
[M+K]+ 353.04220 173.6
[M+H-H2O]+ 297.07630 160.1
[M+HCOO]- 359.07724 184.3
[M+CH3COO]- 373.09289 203.2
[M+Na-2H]- 335.05371 170.9
[M]+ 314.07849 169.3
[M]- 314.07959 169.3
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.