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
3
Annotation Hits

9
References

522
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

literature stripe

Patent stripe

patents stripe