CID 86615

1-propionyl-4-cinnamylpiperazine

Structural Information

Molecular Formula
C16H22N2O
SMILES
CCC(=O)N1CCN(CC1)CC=CC2=CC=CC=C2
InChI
InChI=1S/C16H22N2O/c1-2-16(19)18-13-11-17(12-14-18)10-6-9-15-7-4-3-5-8-15/h3-9H,2,10-14H2,1H3
InChIKey
PXDGUZYTZGUSLZ-UHFFFAOYSA-N
Compound name
1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

258.17322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 164.6
[M+Na]+ 281.16244 176.7
[M+NH4]+ 276.20704 171.9
[M+K]+ 297.13638 168.8
[M-H]- 257.16594 167.2
[M+Na-2H]- 279.14789 170.9
[M]+ 258.17267 166.9
[M]- 258.17377 166.9
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

patents stripe