CID 2795513

158985-36-5

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)14-7-5-13(6-8-14)15(20)22-4/h5-8H,9-12H2,1-4H3
InChIKey
SMDBCJAJWDCJOP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-methoxycarbonylphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

320.1736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 175.5
[M+Na]+ 343.16282 185.5
[M+NH4]+ 338.20742 180.5
[M+K]+ 359.13676 181.6
[M-H]- 319.16632 175.8
[M+Na-2H]- 341.14827 179.7
[M]+ 320.17305 176.7
[M]- 320.17415 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe