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
2
Annotation Hits

2
References

1166
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 189.5
[M+Na]+ 402.15884 197.6
[M-H]- 378.16234 194.2
[M+NH4]+ 397.20344 194.1
[M+K]+ 418.13278 192.5
[M+H-H2O]+ 362.16688 173.0
[M+HCOO]- 424.16782 202.0
[M+CH3COO]- 438.18347 197.6
[M+Na-2H]- 400.14429 188.9
[M]+ 379.16907 196.0
[M]- 379.17017 196.0
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.