CID 719940

2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetic acid

Structural Information

Molecular Formula
C18H14O7
SMILES
COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)O
InChI
InChI=1S/C18H14O7/c1-22-11-2-4-12(5-3-11)25-16-9-24-15-8-13(23-10-17(19)20)6-7-14(15)18(16)21/h2-9H,10H2,1H3,(H,19,20)
InChIKey
XLYKDLBSXBWYKC-UHFFFAOYSA-N
Compound name
2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.07394 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08122 173.2
[M+Na]+ 365.06316 182.0
[M-H]- 341.06666 180.9
[M+NH4]+ 360.10776 185.3
[M+K]+ 381.03710 181.0
[M+H-H2O]+ 325.07120 164.5
[M+HCOO]- 387.07214 194.1
[M+CH3COO]- 401.08779 208.7
[M+Na-2H]- 363.04861 178.9
[M]+ 342.07339 180.7
[M]- 342.07449 180.7
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

No patent data available for this compound.