CID 5265

Spiperone

Structural Information

Molecular Formula
C23H26FN3O2
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
InChIKey
DKGZKTPJOSAWFA-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3143
References

10753
Patents

395.2009 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20818 197.6
[M+Na]+ 418.19012 201.6
[M-H]- 394.19362 201.4
[M+NH4]+ 413.23472 206.8
[M+K]+ 434.16406 194.2
[M+H-H2O]+ 378.19816 184.7
[M+HCOO]- 440.19910 208.1
[M+CH3COO]- 454.21475 203.8
[M+Na-2H]- 416.17557 194.7
[M]+ 395.20035 189.7
[M]- 395.20145 189.7
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