CID 3017222

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

Structural Information

Molecular Formula
C19H20FN3
SMILES
C1CN(CCC1(C#N)NC2=CC=C(C=C2)F)CC3=CC=CC=C3
InChI
InChI=1S/C19H20FN3/c20-17-6-8-18(9-7-17)22-19(15-21)10-12-23(13-11-19)14-16-4-2-1-3-5-16/h1-9,22H,10-14H2
InChIKey
GBJAQCLSQLBKOW-UHFFFAOYSA-N
Compound name
1-benzyl-4-(4-fluoroanilino)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

309.16412 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.171396 174.4
[M+Na]+ 332.153338 182.2
[M-H]- 308.156844 178.4
[M+NH4]+ 327.197943 186.9
[M+K]+ 348.127278 173.3
[M+H-H2O]+ 292.161380 157.4
[M+HCOO]- 354.162321 189.3
[M+CH3COO]- 368.177971 182.2
[M+Na-2H]- 330.138786 177.8
[M]+ 309.16357142 163.2
[M]- 309.16466858 163.2
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