CID 5863440

1-cinnamyl-4-valerylpiperazine hydrochloride

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCCCC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H26N2O/c1-2-3-11-18(21)20-15-13-19(14-16-20)12-7-10-17-8-5-4-6-9-17/h4-10H,2-3,11-16H2,1H3/b10-7+
InChIKey
VOEGLPRHVHRZFC-JXMROGBWSA-N
Compound name
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 173.0
[M+Na]+ 309.19372 176.0
[M-H]- 285.19722 174.9
[M+NH4]+ 304.23832 185.4
[M+K]+ 325.16766 171.3
[M+H-H2O]+ 269.20176 163.0
[M+HCOO]- 331.20270 188.6
[M+CH3COO]- 345.21835 201.4
[M+Na-2H]- 307.17917 173.9
[M]+ 286.20395 169.7
[M]- 286.20505 169.7
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.