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]+ 345.253646 187.8
[M+Na]+ 367.235588 188.4
[M-H]- 343.239094 191.1
[M+NH4]+ 362.280193 198.3
[M+K]+ 383.209528 183.3
[M+H-H2O]+ 327.243630 177.2
[M+HCOO]- 389.244571 200.0
[M+CH3COO]- 403.260221 209.6
[M+Na-2H]- 365.221036 183.6
[M]+ 344.24582142 181.6
[M]- 344.24691858 181.6
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

patents stripe