CID 6445107

1-(2-chlorocinnamyl)-4-n-butyrylpiperazine hydrochloride

Structural Information

Molecular Formula
C17H23ClN2O
SMILES
CCCC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C17H23ClN2O/c1-2-6-17(21)20-13-11-19(12-14-20)10-5-8-15-7-3-4-9-16(15)18/h3-5,7-9H,2,6,10-14H2,1H3/b8-5+
InChIKey
WJIFWCAFMUWAON-VMPITWQZSA-N
Compound name
1-[4-[(E)-3-(2-chlorophenyl)prop-2-enyl]piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1499 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15718 174.4
[M+Na]+ 329.13912 179.6
[M-H]- 305.14262 176.7
[M+NH4]+ 324.18372 187.2
[M+K]+ 345.11306 173.3
[M+H-H2O]+ 289.14716 165.3
[M+HCOO]- 351.14810 185.7
[M+CH3COO]- 365.16375 203.2
[M+Na-2H]- 327.12457 174.7
[M]+ 306.14935 173.2
[M]- 306.15045 173.2
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.