CID 68186

Spiramide

Structural Information

Molecular Formula

C₂₂H₂₆FN₃O₂

SMILES

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)

InChIKey

FJUKDAZEABGEIH-UHFFFAOYSA-N

Compound name

8-[3-(4-fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 21
References: 296
Patents: 383.2009 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	384.208176	194.2
[M+Na]+	406.190118	198.7
[M-H]-	382.193624	198.0
[M+NH4]+	401.234723	204.1
[M+K]+	422.164058	191.5
[M+H-H2O]+	366.198160	181.1
[M+HCOO]-	428.199101	205.9
[M+CH3COO]-	442.214751	200.9
[M+Na-2H]-	404.175566	192.9
[M]+	383.20035142	187.2
[M]-	383.20144858	187.2

Literature stripe

literature stripe

Patent stripe

patents stripe