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]+ 363.20671 189.9
[M+Na]+ 385.18865 191.5
[M-H]- 361.19215 197.4
[M+NH4]+ 380.23325 197.7
[M+K]+ 401.16259 185.6
[M+H-H2O]+ 345.19669 177.1
[M+HCOO]- 407.19763 201.9
[M+CH3COO]- 421.21328 196.6
[M+Na-2H]- 383.17410 188.4
[M]+ 362.19888 180.7
[M]- 362.19998 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.