CID 2804378

Cds1_000655

Structural Information

Molecular Formula
C19H20FN3
SMILES
C1CN(CCC1NC2=C(C(=CC=C2)F)C#N)CC3=CC=CC=C3
InChI
InChI=1S/C19H20FN3/c20-18-7-4-8-19(17(18)13-21)22-16-9-11-23(12-10-16)14-15-5-2-1-3-6-15/h1-8,16,22H,9-12,14H2
InChIKey
VKALFKHZVOJYKX-UHFFFAOYSA-N
Compound name
2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

309.16412 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.171396 173.5
[M+Na]+ 332.153338 180.8
[M-H]- 308.156844 177.3
[M+NH4]+ 327.197943 184.3
[M+K]+ 348.127278 172.4
[M+H-H2O]+ 292.161380 156.3
[M+HCOO]- 354.162321 188.3
[M+CH3COO]- 368.177971 181.2
[M+Na-2H]- 330.138786 175.4
[M]+ 309.16357142 162.3
[M]- 309.16466858 162.3
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

No patent data available for this compound.