CID 3017223

1-benzyl-4-((4-fluorophenyl)amino)piperidine-4-carboxamide

Structural Information

Molecular Formula
C19H22FN3O
SMILES
C1CN(CCC1(C(=O)N)NC2=CC=C(C=C2)F)CC3=CC=CC=C3
InChI
InChI=1S/C19H22FN3O/c20-16-6-8-17(9-7-16)22-19(18(21)24)10-12-23(13-11-19)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H2,21,24)
InChIKey
DICTXEPQAOBPNR-UHFFFAOYSA-N
Compound name
1-benzyl-4-(4-fluoroanilino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

327.17468 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.181956 177.6
[M+Na]+ 350.163898 181.4
[M-H]- 326.167404 183.1
[M+NH4]+ 345.208503 190.3
[M+K]+ 366.137838 176.0
[M+H-H2O]+ 310.171940 166.6
[M+HCOO]- 372.172881 195.7
[M+CH3COO]- 386.188531 212.5
[M+Na-2H]- 348.149346 180.3
[M]+ 327.17413142 169.8
[M]- 327.17522858 169.8
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

patents stripe