CID 13899584

2,5-dibenzylpiperazine

Structural Information

Molecular Formula
C18H22N2
SMILES
C1C(NCC(N1)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-3-7-15(8-4-1)11-17-13-20-18(14-19-17)12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChIKey
MHZXGSQZAQYQPG-UHFFFAOYSA-N
Compound name
2,5-dibenzylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.17828 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.185556 164.9
[M+Na]+ 289.167498 168.0
[M-H]- 265.171004 167.4
[M+NH4]+ 284.212103 176.2
[M+K]+ 305.141438 160.7
[M+H-H2O]+ 249.175540 154.7
[M+HCOO]- 311.176481 179.2
[M+CH3COO]- 325.192131 173.1
[M+Na-2H]- 287.152946 168.7
[M]+ 266.17773142 156.0
[M]- 266.17882858 156.0
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