CID 3065204

107235-75-6

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]+ 315.20671 178.5
[M+Na]+ 337.18865 180.9
[M-H]- 313.19215 183.4
[M+NH4]+ 332.23325 189.2
[M+K]+ 353.16259 176.5
[M+H-H2O]+ 297.19669 167.6
[M+HCOO]- 359.19763 190.8
[M+CH3COO]- 373.21328 206.6
[M+Na-2H]- 335.17410 176.8
[M]+ 314.19888 170.8
[M]- 314.19998 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.