CID 2894731

Ethyl [(4-methyl-2-oxo-2h-chromen-7-yl)oxy](phenyl)acetate

Structural Information

Molecular Formula
C20H18O5
SMILES
CCOC(=O)C(C1=CC=CC=C1)OC2=CC3=C(C=C2)C(=CC(=O)O3)C
InChI
InChI=1S/C20H18O5/c1-3-23-20(22)19(14-7-5-4-6-8-14)24-15-9-10-16-13(2)11-18(21)25-17(16)12-15/h4-12,19H,3H2,1-2H3
InChIKey
XTYLNIMMHAGPJX-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.11542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.122696 177.5
[M+Na]+ 361.104638 185.1
[M-H]- 337.108144 185.9
[M+NH4]+ 356.149243 190.3
[M+K]+ 377.078578 183.5
[M+H-H2O]+ 321.112680 168.6
[M+HCOO]- 383.113621 197.9
[M+CH3COO]- 397.129271 211.3
[M+Na-2H]- 359.090086 181.7
[M]+ 338.11487142 183.4
[M]- 338.11596858 183.4
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.