CID 68186

Spiramide hydrochloride

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
1
Annotation Hits

21
References

256
Patents

383.2009 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20818 196.7
[M+Na]+ 406.19012 208.2
[M+NH4]+ 401.23472 204.1
[M+K]+ 422.16406 200.0
[M-H]- 382.19362 199.9
[M+Na-2H]- 404.17557 204.1
[M]+ 383.20035 199.1
[M]- 383.20145 199.1
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