CID 89606923

Benzyl 4-(2-oxopiperazin-1-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C17H23N3O3
SMILES
C1CN(CCC1N2CCNCC2=O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H23N3O3/c21-16-12-18-8-11-20(16)15-6-9-19(10-7-15)17(22)23-13-14-4-2-1-3-5-14/h1-5,15,18H,6-13H2
InChIKey
ZJPRNEZWJYWAPM-UHFFFAOYSA-N
Compound name
benzyl 4-(2-oxopiperazin-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

317.17395 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 177.6
[M+Na]+ 340.16317 179.4
[M-H]- 316.16667 179.7
[M+NH4]+ 335.20777 185.7
[M+K]+ 356.13711 174.9
[M+H-H2O]+ 300.17121 166.1
[M+HCOO]- 362.17215 187.9
[M+CH3COO]- 376.18780 201.4
[M+Na-2H]- 338.14862 177.4
[M]+ 317.17340 168.9
[M]- 317.17450 168.9
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