CID 16362

Pimozide

Structural Information

Molecular Formula
C28H29F2N3O
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
InChIKey
YVUQSNJEYSNKRX-UHFFFAOYSA-N
Compound name
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2130
References

24724
Patents

461.22787 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.23515 214.2
[M+Na]+ 484.21709 220.1
[M-H]- 460.22059 219.1
[M+NH4]+ 479.26169 219.5
[M+K]+ 500.19103 209.7
[M+H-H2O]+ 444.22513 199.3
[M+HCOO]- 506.22607 225.1
[M+CH3COO]- 520.24172 219.8
[M+Na-2H]- 482.20254 210.6
[M]+ 461.22732 208.9
[M]- 461.22842 208.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.