CID 65489

Milenperone

Structural Information

Molecular Formula
C22H23ClFN3O2
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCN3C4=C(C=C(C=C4)Cl)NC3=O
InChI
InChI=1S/C22H23ClFN3O2/c23-17-4-7-20-19(14-17)25-22(29)27(20)11-1-10-26-12-8-16(9-13-26)21(28)15-2-5-18(24)6-3-15/h2-7,14,16H,1,8-13H2,(H,25,29)
InChIKey
DBESQBZOXMCXPV-UHFFFAOYSA-N
Compound name
6-chloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

558
Patents

415.14627 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.153546 198.6
[M+Na]+ 438.135488 206.8
[M-H]- 414.138994 202.2
[M+NH4]+ 433.180093 207.4
[M+K]+ 454.109428 197.6
[M+H-H2O]+ 398.143530 186.8
[M+HCOO]- 460.144471 207.4
[M+CH3COO]- 474.160121 206.1
[M+Na-2H]- 436.120936 196.3
[M]+ 415.14572142 198.0
[M]- 415.14681858 198.0
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