CID 2787482

Methyl 2-[(2-oxo-4-phenyl-2h-chromen-7-yl)oxy]propanoate

Structural Information

Molecular Formula
C19H16O5
SMILES
CC(C(=O)OC)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3
InChI
InChI=1S/C19H16O5/c1-12(19(21)22-2)23-14-8-9-15-16(13-6-4-3-5-7-13)11-18(20)24-17(15)10-14/h3-12H,1-2H3
InChIKey
OXGMDUSTGDINRR-UHFFFAOYSA-N
Compound name
methyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

324.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 171.6
[M+Na]+ 347.08898 187.0
[M+NH4]+ 342.13358 179.0
[M+K]+ 363.06292 180.6
[M-H]- 323.09248 177.0
[M+Na-2H]- 345.07443 179.3
[M]+ 324.09921 175.4
[M]- 324.10031 175.4
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