CID 204250

16018-25-0

Structural Information

Molecular Formula
C17H28N2
SMILES
CCCCN1CCN(CC1)C(C)CC2=CC=CC=C2
InChI
InChI=1S/C17H28N2/c1-3-4-10-18-11-13-19(14-12-18)16(2)15-17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3
InChIKey
PMBDWFTTYHUSTO-UHFFFAOYSA-N
Compound name
1-butyl-4-(1-phenylpropan-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.22525 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.23253 167.2
[M+Na]+ 283.21447 170.0
[M-H]- 259.21797 169.1
[M+NH4]+ 278.25907 180.7
[M+K]+ 299.18841 166.1
[M+H-H2O]+ 243.22251 157.4
[M+HCOO]- 305.22345 182.5
[M+CH3COO]- 319.23910 199.3
[M+Na-2H]- 281.19992 168.6
[M]+ 260.22470 163.7
[M]- 260.22580 163.7
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.