CID 746402

2,8-dimethyl-4-oxo-3-phenyl-4h-chromen-7-yl acetate

Structural Information

Molecular Formula
C19H16O4
SMILES
CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3)C)OC(=O)C
InChI
InChI=1S/C19H16O4/c1-11-16(23-13(3)20)10-9-15-18(21)17(12(2)22-19(11)15)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKey
URNHOZHUSNFEBU-UHFFFAOYSA-N
Compound name
(2,8-dimethyl-4-oxo-3-phenylchromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.10486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 169.2
[M+Na]+ 331.09408 179.8
[M-H]- 307.09758 178.7
[M+NH4]+ 326.13868 184.2
[M+K]+ 347.06802 177.2
[M+H-H2O]+ 291.10212 161.1
[M+HCOO]- 353.10306 190.8
[M+CH3COO]- 367.11871 207.8
[M+Na-2H]- 329.07953 173.8
[M]+ 308.10431 175.0
[M]- 308.10541 175.0
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

No patent data available for this compound.