CID 979361

6-ethyl-3-(4-fluorophenyl)-7-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C24H26FNO3
SMILES
CCC1=CC2=C(C(=C1O)CN3CCCCC3)OC(=C(C2=O)C4=CC=C(C=C4)F)C
InChI
InChI=1S/C24H26FNO3/c1-3-16-13-19-23(28)21(17-7-9-18(25)10-8-17)15(2)29-24(19)20(22(16)27)14-26-11-5-4-6-12-26/h7-10,13,27H,3-6,11-12,14H2,1-2H3
InChIKey
SSVWDZIUPCOHJN-UHFFFAOYSA-N
Compound name
6-ethyl-3-(4-fluorophenyl)-7-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.18967 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19695 200.4
[M+Na]+ 418.17889 216.0
[M+NH4]+ 413.22349 207.4
[M+K]+ 434.15283 207.1
[M-H]- 394.18239 206.7
[M+Na-2H]- 416.16434 206.4
[M]+ 395.18912 204.5
[M]- 395.19022 204.5
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.