CID 16363

Benperidol

Structural Information

Molecular Formula
C22H24FN3O2
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
InChIKey
FEBOTPHFXYHVPL-UHFFFAOYSA-N
Compound name
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

843
References

4755
Patents

381.18524 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19252 192.0
[M+Na]+ 404.17446 198.6
[M-H]- 380.17796 195.5
[M+NH4]+ 399.21906 201.0
[M+K]+ 420.14840 190.6
[M+H-H2O]+ 364.18250 179.8
[M+HCOO]- 426.18344 205.5
[M+CH3COO]- 440.19909 199.7
[M+Na-2H]- 402.15991 190.9
[M]+ 381.18469 188.7
[M]- 381.18579 188.7
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