CID 2064055

7-(benzyloxy)-6-ethyl-3-(4-fluorophenyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C24H19FO3
SMILES
CCC1=CC2=C(C=C1OCC3=CC=CC=C3)OC=C(C2=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H19FO3/c1-2-17-12-20-23(13-22(17)27-14-16-6-4-3-5-7-16)28-15-21(24(20)26)18-8-10-19(25)11-9-18/h3-13,15H,2,14H2,1H3
InChIKey
DBOXJVAJMBFYPH-UHFFFAOYSA-N
Compound name
6-ethyl-3-(4-fluorophenyl)-7-phenylmethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.13184 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13912 190.7
[M+Na]+ 397.12106 200.3
[M-H]- 373.12456 201.0
[M+NH4]+ 392.16566 202.2
[M+K]+ 413.09500 195.0
[M+H-H2O]+ 357.12910 179.2
[M+HCOO]- 419.13004 211.0
[M+CH3COO]- 433.14569 201.6
[M+Na-2H]- 395.10651 194.7
[M]+ 374.13129 193.9
[M]- 374.13239 193.9
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.