CID 163655

96222-01-4

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3CCCCC3
InChI
InChI=1S/C21H32N2O2/c1-2-25-20-11-7-6-10-19(20)22-14-16-23(17-15-22)21(24)13-12-18-8-4-3-5-9-18/h6-7,10-11,18H,2-5,8-9,12-17H2,1H3
InChIKey
VVRJSSAKBZOXOJ-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.24637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.25365 188.1
[M+Na]+ 367.23559 188.3
[M-H]- 343.23909 192.1
[M+NH4]+ 362.28019 197.3
[M+K]+ 383.20953 184.0
[M+H-H2O]+ 327.24363 176.4
[M+HCOO]- 389.24457 199.5
[M+CH3COO]- 403.26022 212.0
[M+Na-2H]- 365.22104 186.0
[M]+ 344.24582 181.3
[M]- 344.24692 181.3
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.