CID 3044660

Cyclohexyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate oxalate

Structural Information

Molecular Formula
C19H27ClN2O2
SMILES
C1CCC(CC1)OC(=O)C2(CCN(CC2)CC3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C19H27ClN2O2/c20-16-8-6-15(7-9-16)14-22-12-10-19(21,11-13-22)18(23)24-17-4-2-1-3-5-17/h6-9,17H,1-5,10-14,21H2
InChIKey
JMQYVSNAKADCOH-UHFFFAOYSA-N
Compound name
cyclohexyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.17612 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18340 185.3
[M+Na]+ 373.16534 187.6
[M-H]- 349.16884 190.9
[M+NH4]+ 368.20994 198.2
[M+K]+ 389.13928 182.3
[M+H-H2O]+ 333.17338 176.1
[M+HCOO]- 395.17432 194.8
[M+CH3COO]- 409.18997 211.0
[M+Na-2H]- 371.15079 184.5
[M]+ 350.17557 178.5
[M]- 350.17667 178.5
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