CID 211353

Piperazine, 1-butyryl-4-(o-chlorophenethyl)-, hydrochloride

Structural Information

Molecular Formula
C16H23ClN2O
SMILES
CCCC(=O)N1CCN(CC1)CCC2=CC=CC=C2Cl
InChI
InChI=1S/C16H23ClN2O/c1-2-5-16(20)19-12-10-18(11-13-19)9-8-14-6-3-4-7-15(14)17/h3-4,6-7H,2,5,8-13H2,1H3
InChIKey
QSQTXNNHIFNYNY-UHFFFAOYSA-N
Compound name
1-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1499 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15718 170.7
[M+Na]+ 317.13912 175.9
[M-H]- 293.14262 173.1
[M+NH4]+ 312.18372 184.0
[M+K]+ 333.11306 170.5
[M+H-H2O]+ 277.14716 161.7
[M+HCOO]- 339.14810 182.1
[M+CH3COO]- 353.16375 201.7
[M+Na-2H]- 315.12457 171.5
[M]+ 294.14935 169.9
[M]- 294.15045 169.9
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.