CID 821444

Piperazinone, 4-(cyclohexylcarbonyl)-1-(phenylmethyl)-

Structural Information

Molecular Formula
C18H24N2O2
SMILES
C1CCC(CC1)C(=O)N2CCN(C(=O)C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H24N2O2/c21-17-14-20(18(22)16-9-5-2-6-10-16)12-11-19(17)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKey
GWNFKQDKAYLHEE-UHFFFAOYSA-N
Compound name
1-benzyl-4-(cyclohexanecarbonyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

300.18378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 174.0
[M+Na]+ 323.17300 175.9
[M-H]- 299.17650 178.7
[M+NH4]+ 318.21760 185.0
[M+K]+ 339.14694 171.6
[M+H-H2O]+ 283.18104 163.1
[M+HCOO]- 345.18198 186.6
[M+CH3COO]- 359.19763 202.4
[M+Na-2H]- 321.15845 173.5
[M]+ 300.18323 165.5
[M]- 300.18433 165.5
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

No patent data available for this compound.