CID 3065204

Piperazinone, 4-(cyclohexylcarbonyl)-1-ethyl-6-phenyl-

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCN1C(CN(CC1=O)C(=O)C2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C19H26N2O2/c1-2-21-17(15-9-5-3-6-10-15)13-20(14-18(21)22)19(23)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,2,4,7-8,11-14H2,1H3
InChIKey
XUZAAPNQMAKRFC-UHFFFAOYSA-N
Compound name
4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.206706 178.5
[M+Na]+ 337.188648 180.9
[M-H]- 313.192154 183.4
[M+NH4]+ 332.233253 189.2
[M+K]+ 353.162588 176.5
[M+H-H2O]+ 297.196690 167.6
[M+HCOO]- 359.197631 190.8
[M+CH3COO]- 373.213281 206.6
[M+Na-2H]- 335.174096 176.8
[M]+ 314.19888142 170.8
[M]- 314.19997858 170.8
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

No patent data available for this compound.