CID 6437318

1-cinnamyl-2,6-dimethyl-4-propionyl-piperazine

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCC(=O)N1CC(N(C(C1)C)C/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C18H26N2O/c1-4-18(21)19-13-15(2)20(16(3)14-19)12-8-11-17-9-6-5-7-10-17/h5-11,15-16H,4,12-14H2,1-3H3/b11-8+
InChIKey
BMLQSGLVZQCULY-DHZHZOJOSA-N
Compound name
1-[3,5-dimethyl-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

286.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 173.1
[M+Na]+ 309.19372 185.4
[M+NH4]+ 304.23832 180.0
[M+K]+ 325.16766 177.5
[M-H]- 285.19722 175.7
[M+Na-2H]- 307.17917 178.4
[M]+ 286.20395 175.4
[M]- 286.20505 175.4
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.