CID 3063744

101564-36-7

Structural Information

Molecular Formula
C23H26N2O2
SMILES
C1CC(C(=O)C(C1)N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H26N2O2/c26-22(18-8-3-1-4-9-18)20-12-7-13-21(23(20)27)25-16-14-24(15-17-25)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2
InChIKey
WZZBXHPDEMOEIA-UHFFFAOYSA-N
Compound name
2-benzoyl-6-(4-phenylpiperazin-1-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.206706 189.9
[M+Na]+ 385.188648 191.5
[M-H]- 361.192154 197.4
[M+NH4]+ 380.233253 197.7
[M+K]+ 401.162588 185.6
[M+H-H2O]+ 345.196690 177.1
[M+HCOO]- 407.197631 201.9
[M+CH3COO]- 421.213281 196.6
[M+Na-2H]- 383.174096 188.4
[M]+ 362.19888142 180.7
[M]- 362.19997858 180.7
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.