CID 18519756

Tert-butyl 4-benzoylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-11-9-17(10-12-18)14(19)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKey
YOZLBJXUJHNUOW-UHFFFAOYSA-N
Compound name
tert-butyl 4-benzoylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

290.16306 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 169.6
[M+Na]+ 313.15228 173.8
[M-H]- 289.15578 172.6
[M+NH4]+ 308.19688 182.0
[M+K]+ 329.12622 171.7
[M+H-H2O]+ 273.16032 160.9
[M+HCOO]- 335.16126 183.8
[M+CH3COO]- 349.17691 199.5
[M+Na-2H]- 311.13773 171.7
[M]+ 290.16251 167.4
[M]- 290.16361 167.4
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