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 187.8
[M+Na]+ 367.23559 188.4
[M-H]- 343.23909 191.1
[M+NH4]+ 362.28019 198.3
[M+K]+ 383.20953 183.3
[M+H-H2O]+ 327.24363 177.2
[M+HCOO]- 389.24457 200.0
[M+CH3COO]- 403.26022 209.6
[M+Na-2H]- 365.22104 183.6
[M]+ 344.24582 181.6
[M]- 344.24692 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