CID 261367

3-(4-methoxyphenyl)-2-methyl-4-oxo-4h-chromen-7-yl acetate

Structural Information

Molecular Formula
C19H16O5
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H16O5/c1-11-18(13-4-6-14(22-3)7-5-13)19(21)16-9-8-15(24-12(2)20)10-17(16)23-11/h4-10H,1-3H3
InChIKey
KGJXTDUSFWAIMJ-UHFFFAOYSA-N
Compound name
[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

324.09976 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 171.8
[M+Na]+ 347.08898 188.4
[M+NH4]+ 342.13358 179.3
[M+K]+ 363.06292 181.4
[M-H]- 323.09248 177.5
[M+Na-2H]- 345.07443 179.4
[M]+ 324.09921 176.0
[M]- 324.10031 176.0
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

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