CID 5886634

1-cinnamyl-4-isobutyrylpiperazine 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]+ 273.19615 168.3
[M+Na]+ 295.17809 171.6
[M-H]- 271.18159 170.6
[M+NH4]+ 290.22269 181.3
[M+K]+ 311.15203 167.6
[M+H-H2O]+ 255.18613 158.8
[M+HCOO]- 317.18707 183.3
[M+CH3COO]- 331.20272 199.2
[M+Na-2H]- 293.16354 168.7
[M]+ 272.18832 164.1
[M]- 272.18942 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.