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

2
Patents

300.22015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.227426 177.0
[M+Na]+ 323.209368 181.6
[M-H]- 299.212874 179.6
[M+NH4]+ 318.253973 189.6
[M+K]+ 339.183308 176.6
[M+H-H2O]+ 283.217410 167.5
[M+HCOO]- 345.218351 192.3
[M+CH3COO]- 359.234001 206.7
[M+Na-2H]- 321.194816 176.1
[M]+ 300.21960142 175.0
[M]- 300.22069858 175.0
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