CID 3044656

Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate

Structural Information

Molecular Formula
C21H26N2O2
SMILES
C1CN(CCC1(C(=O)OCCC2=CC=CC=C2)N)CC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c22-21(20(24)25-16-11-18-7-3-1-4-8-18)12-14-23(15-13-21)17-19-9-5-2-6-10-19/h1-10H,11-17,22H2
InChIKey
RKLGEYWPKIEAGI-UHFFFAOYSA-N
Compound name
2-phenylethyl 4-amino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 184.0
[M+Na]+ 361.18865 186.6
[M-H]- 337.19215 190.2
[M+NH4]+ 356.23325 196.3
[M+K]+ 377.16259 181.9
[M+H-H2O]+ 321.19669 173.4
[M+HCOO]- 383.19763 201.6
[M+CH3COO]- 397.21328 211.0
[M+Na-2H]- 359.17410 186.3
[M]+ 338.19888 179.3
[M]- 338.19998 179.3
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