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 177.4
[M+Na]+ 347.14968 182.3
[M-H]- 323.15318 181.0
[M+NH4]+ 342.19428 192.3
[M+K]+ 363.12362 177.4
[M+H-H2O]+ 307.15772 169.8
[M+HCOO]- 369.15866 190.7
[M+CH3COO]- 383.17431 207.9
[M+Na-2H]- 345.13513 178.4
[M]+ 324.15991 176.8
[M]- 324.16101 176.8
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

patents stripe