CID 6447701

98608-60-7

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCCC(=O)N1C(CN(CC1C)C/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C19H28N2O/c1-4-9-19(22)21-16(2)14-20(15-17(21)3)13-8-12-18-10-6-5-7-11-18/h5-8,10-12,16-17H,4,9,13-15H2,1-3H3/b12-8+
InChIKey
BANVQTYRZZRLPN-XYOKQWHBSA-N
Compound name
1-[2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 177.5
[M+Na]+ 323.20937 189.7
[M+NH4]+ 318.25397 184.3
[M+K]+ 339.18331 181.5
[M-H]- 299.21287 180.1
[M+Na-2H]- 321.19482 182.6
[M]+ 300.21960 179.8
[M]- 300.22070 179.8
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.