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]+ 309.112136 169.2
[M+Na]+ 331.094078 179.8
[M-H]- 307.097584 178.7
[M+NH4]+ 326.138683 184.2
[M+K]+ 347.068018 177.2
[M+H-H2O]+ 291.102120 161.1
[M+HCOO]- 353.103061 190.8
[M+CH3COO]- 367.118711 207.8
[M+Na-2H]- 329.079526 173.8
[M]+ 308.10431142 175.0
[M]- 308.10540858 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.