CID 216017

Piperazine, 1-(cyclobutylcarbonyl)-4-phenyl-

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CC(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C15H20N2O/c18-15(13-5-4-6-13)17-11-9-16(10-12-17)14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2
InChIKey
CYDGFBIPYYSQGC-UHFFFAOYSA-N
Compound name
cyclobutyl-(4-phenylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

244.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 154.1
[M+Na]+ 267.14678 156.8
[M-H]- 243.15028 159.2
[M+NH4]+ 262.19138 161.6
[M+K]+ 283.12072 156.7
[M+H-H2O]+ 227.15482 139.2
[M+HCOO]- 289.15576 169.0
[M+CH3COO]- 303.17141 195.3
[M+Na-2H]- 265.13223 156.5
[M]+ 244.15701 156.5
[M]- 244.15811 156.5
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