CID 184841

Belaperidone

Structural Information

Molecular Formula
C22H22FN3O2
SMILES
C1[C@@H]2CN(C[C@@H]2[C@H]1C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=O
InChI
InChI=1S/C22H22FN3O2/c23-16-7-5-14(6-8-16)18-11-15-12-25(13-19(15)18)9-10-26-21(27)17-3-1-2-4-20(17)24-22(26)28/h1-8,15,18-19H,9-13H2,(H,24,28)/t15-,18-,19+/m1/s1
InChIKey
XLJWJFKYRFPJSD-LZQZEXGQSA-N
Compound name
3-[2-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1216
Patents

379.16962 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17690 191.3
[M+Na]+ 402.15884 201.2
[M+NH4]+ 397.20344 194.0
[M+K]+ 418.13278 196.4
[M-H]- 378.16234 191.4
[M+Na-2H]- 400.14429 193.7
[M]+ 379.16907 191.5
[M]- 379.17017 191.5
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