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

5
Patents

324.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.107036 172.6
[M+Na]+ 347.088978 180.8
[M-H]- 323.092484 181.3
[M+NH4]+ 342.133583 186.1
[M+K]+ 363.062918 179.3
[M+H-H2O]+ 307.097020 164.0
[M+HCOO]- 369.097961 193.4
[M+CH3COO]- 383.113611 208.4
[M+Na-2H]- 345.074426 177.5
[M]+ 324.09921142 178.3
[M]- 324.10030858 178.3
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