CID 2064059

328019-77-8

Structural Information

Molecular Formula
C24H23F4NO3
SMILES
CCC1=CC2=C(C(=C1O)CN3CCCCC3)OC(=C(C2=O)C4=CC=C(C=C4)F)C(F)(F)F
InChI
InChI=1S/C24H23F4NO3/c1-2-14-12-17-21(31)19(15-6-8-16(25)9-7-15)23(24(26,27)28)32-22(17)18(20(14)30)13-29-10-4-3-5-11-29/h6-9,12,30H,2-5,10-11,13H2,1H3
InChIKey
HLSVIZFAYYJHSF-UHFFFAOYSA-N
Compound name
6-ethyl-3-(4-fluorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1614 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.16868 210.6
[M+Na]+ 472.15062 219.2
[M-H]- 448.15412 213.9
[M+NH4]+ 467.19522 217.3
[M+K]+ 488.12456 212.5
[M+H-H2O]+ 432.15866 196.6
[M+HCOO]- 494.15960 218.9
[M+CH3COO]- 508.17525 231.5
[M+Na-2H]- 470.13607 208.9
[M]+ 449.16085 205.5
[M]- 449.16195 205.5
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.