CID 54594903

1-benzyl-2,5-diethylpiperazine

Structural Information

Molecular Formula
C15H24N2
SMILES
CCC1CNC(CN1CC2=CC=CC=C2)CC
InChI
InChI=1S/C15H24N2/c1-3-14-12-17(15(4-2)10-16-14)11-13-8-6-5-7-9-13/h5-9,14-16H,3-4,10-12H2,1-2H3
InChIKey
OGTGPQVLSNVPIB-UHFFFAOYSA-N
Compound name
1-benzyl-2,5-diethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.19395 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.201226 158.7
[M+Na]+ 255.183168 163.3
[M-H]- 231.186674 160.0
[M+NH4]+ 250.227773 173.1
[M+K]+ 271.157108 158.5
[M+H-H2O]+ 215.191210 149.8
[M+HCOO]- 277.192151 174.2
[M+CH3COO]- 291.207801 191.0
[M+Na-2H]- 253.168616 161.2
[M]+ 232.19340142 153.7
[M]- 232.19449858 153.7
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

patents stripe