CID 201276

D3rd6lr4v1

Structural Information

Molecular Formula
C20H24ClN
SMILES
C1CC(CN(C1)CCCl)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H24ClN/c21-13-15-22-14-7-12-19(16-22)20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2
InChIKey
YDXJKFLKXFKVPS-UHFFFAOYSA-N
Compound name
3-benzhydryl-1-(2-chloroethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.15973 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16701 177.5
[M+Na]+ 336.14895 193.2
[M+NH4]+ 331.19355 187.6
[M+K]+ 352.12289 182.4
[M-H]- 312.15245 184.8
[M+Na-2H]- 334.13440 188.1
[M]+ 313.15918 182.4
[M]- 313.16028 182.4
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

No patent data available for this compound.