CID 224577

5424-08-8

Structural Information

Molecular Formula
C21H24N2
SMILES
C1CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H24N2/c22-18-21(19-10-4-1-5-11-19,20-12-6-2-7-13-20)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13H,3,8-9,14-17H2
InChIKey
VXPUAJALRVCLNP-UHFFFAOYSA-N
Compound name
2,2-diphenyl-4-piperidin-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

304.19394 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 178.6
[M+Na]+ 327.18316 183.9
[M-H]- 303.18666 182.8
[M+NH4]+ 322.22776 189.2
[M+K]+ 343.15710 175.4
[M+H-H2O]+ 287.19120 162.1
[M+HCOO]- 349.19214 191.3
[M+CH3COO]- 363.20779 185.6
[M+Na-2H]- 325.16861 181.9
[M]+ 304.19339 168.0
[M]- 304.19449 168.0
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