CID 60557

1-butanone, 1-(4-cyclopentylphenyl)-4-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H32N2O2
SMILES
C1CCC(C1)C2=CC=C(C=C2)C(=O)CCCN3CCN(CC3)CCO
InChI
InChI=1S/C21H32N2O2/c24-17-16-23-14-12-22(13-15-23)11-3-6-21(25)20-9-7-19(8-10-20)18-4-1-2-5-18/h7-10,18,24H,1-6,11-17H2
InChIKey
IQSREJNGVSJXMF-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.24637 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.25365 189.1
[M+Na]+ 367.23559 198.3
[M+NH4]+ 362.28019 195.6
[M+K]+ 383.20953 192.8
[M-H]- 343.23909 192.3
[M+Na-2H]- 365.22104 193.3
[M]+ 344.24582 190.9
[M]- 344.24692 190.9
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.