CID 10048892

Fcway

Structural Information

Molecular Formula
C25H33FN4O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCC(CC4)F
InChI
InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3
InChIKey
JQSMVIQRTYWIED-UHFFFAOYSA-N
Compound name
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

22
Patents

440.25876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.26604 210.5
[M+Na]+ 463.24798 221.3
[M+NH4]+ 458.29258 215.9
[M+K]+ 479.22192 213.6
[M-H]- 439.25148 215.7
[M+Na-2H]- 461.23343 217.7
[M]+ 440.25821 213.2
[M]- 440.25931 213.2
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

patents stripe