CID 3044658

Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate

Structural Information

Molecular Formula
C17H25ClN2O2
SMILES
CCCCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C17H25ClN2O2/c1-2-3-12-22-16(21)17(19)8-10-20(11-9-17)13-14-4-6-15(18)7-5-14/h4-7H,2-3,8-13,19H2,1H3
InChIKey
ZKCOIBAVPKRUTK-UHFFFAOYSA-N
Compound name
butyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16046 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16774 176.9
[M+Na]+ 347.14968 188.1
[M+NH4]+ 342.19428 185.5
[M+K]+ 363.12362 178.8
[M-H]- 323.15318 180.1
[M+Na-2H]- 345.13513 183.7
[M]+ 324.15991 179.7
[M]- 324.16101 179.7
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.