CID 3396

Fluspirilene

Structural Information

Molecular Formula
C29H31F2N3O
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
InChIKey
QOYHHIBFXOOADH-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

275
References

16811
Patents

475.24353 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.25081 221.2
[M+Na]+ 498.23275 233.0
[M+NH4]+ 493.27735 227.7
[M+K]+ 514.20669 223.6
[M-H]- 474.23625 225.4
[M+Na-2H]- 496.21820 229.1
[M]+ 475.24298 224.0
[M]- 475.24408 224.0
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