CID 20286530

Benzyl 4-hydroxy-4-[(phenylamino)methyl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C20H24N2O3
SMILES
C1CN(CCC1(CNC2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C20H24N2O3/c23-19(25-15-17-7-3-1-4-8-17)22-13-11-20(24,12-14-22)16-21-18-9-5-2-6-10-18/h1-10,21,24H,11-16H2
InChIKey
JFFNFUMDVAEEDU-UHFFFAOYSA-N
Compound name
benzyl 4-(anilinomethyl)-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

340.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 182.0
[M+Na]+ 363.16790 184.6
[M-H]- 339.17140 187.6
[M+NH4]+ 358.21250 193.8
[M+K]+ 379.14184 180.3
[M+H-H2O]+ 323.17594 171.8
[M+HCOO]- 385.17688 199.4
[M+CH3COO]- 399.19253 207.7
[M+Na-2H]- 361.15335 185.7
[M]+ 340.17813 177.6
[M]- 340.17923 177.6
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

patents stripe