CID 5886634

Piperazine, 1-isobutyryl-4-(phenylallyl)-, hydrochloride

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC(C)C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H24N2O/c1-15(2)17(20)19-13-11-18(12-14-19)10-6-9-16-7-4-3-5-8-16/h3-9,15H,10-14H2,1-2H3/b9-6+
InChIKey
ARJCZMZSZHXCHT-RMKNXTFCSA-N
Compound name
2-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 168.3
[M+Na]+ 295.178088 171.6
[M-H]- 271.181594 170.6
[M+NH4]+ 290.222693 181.3
[M+K]+ 311.152028 167.6
[M+H-H2O]+ 255.186130 158.8
[M+HCOO]- 317.187071 183.3
[M+CH3COO]- 331.202721 199.2
[M+Na-2H]- 293.163536 168.7
[M]+ 272.18832142 164.1
[M]- 272.18941858 164.1
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.