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 176.1
[M+Na]+ 336.14895 179.6
[M-H]- 312.15245 182.2
[M+NH4]+ 331.19355 189.0
[M+K]+ 352.12289 172.7
[M+H-H2O]+ 296.15699 166.2
[M+HCOO]- 358.15793 188.3
[M+CH3COO]- 372.17358 184.9
[M+Na-2H]- 334.13440 177.8
[M]+ 313.15918 172.6
[M]- 313.16028 172.6
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.