CID 200601

1,4-dibenzylpiperazine

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey
YPUGLZQRXQQCSX-UHFFFAOYSA-N
Compound name
1,4-dibenzylpiperazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

826
Patents

266.17828 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 164.9
[M+Na]+ 289.16750 168.8
[M-H]- 265.17100 170.1
[M+NH4]+ 284.21210 177.5
[M+K]+ 305.14144 163.3
[M+H-H2O]+ 249.17554 153.8
[M+HCOO]- 311.17648 182.1
[M+CH3COO]- 325.19213 174.3
[M+Na-2H]- 287.15295 169.4
[M]+ 266.17773 159.5
[M]- 266.17883 159.5
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.